REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:13-Sep-2010 14:06:21 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 4.510 1.608 -3.349 1.00 51.45 ATOM 2 CB MET 1 4.674 2.447 -1.383 1.00 42.21 ATOM 3 HB1 MET 1 5.725 2.716 -1.378 1.00 39.96 ATOM 4 HB2 MET 1 4.384 2.152 -0.384 1.00 65.35 ATOM 5 CG MET 1 3.881 3.684 -1.770 1.00 54.53 ATOM 6 HG1 MET 1 2.832 3.427 -1.798 1.00 39.96 ATOM 7 HG2 MET 1 4.194 3.998 -2.754 1.00 72.12 ATOM 8 SD MET 1 4.102 5.044 -0.607 1.00 43.10 ATOM 9 CE MET 1 4.821 6.290 -1.675 1.00 21.51 ATOM 10 HE1 MET 1 5.748 5.919 -2.087 1.00 13.44 ATOM 11 HE2 MET 1 5.014 7.186 -1.104 1.00 75.44 ATOM 12 HE3 MET 1 4.135 6.516 -2.478 1.00 33.12 ATOM 13 C MET 1 5.556 0.224 -2.117 1.00 3.05 ATOM 14 O MET 1 6.394 0.363 -1.226 1.00 53.20 ATOM 15 N MET 1 3.141 0.676 -2.111 1.00 11.32 ATOM 16 HT1 MET 1 3.042 0.335 -1.129 1.00 39.96 ATOM 17 HT2 MET 1 2.993 -0.128 -2.758 1.00 39.96 ATOM 18 HT3 MET 1 2.396 1.379 -2.295 1.00 39.96 ATOM 19 CA MET 1 4.459 1.262 -2.326 1.00 53.35 ATOM 20 N GLY 2 5.546 -0.818 -2.943 1.00 13.31 ATOM 21 HN GLY 2 4.858 -0.886 -3.643 1.00 39.96 ATOM 22 CA GLY 2 6.545 -1.864 -2.830 1.00 71.13 ATOM 23 HA1 GLY 2 6.034 -2.815 -2.807 1.00 39.96 ATOM 24 HA2 GLY 2 7.110 -1.761 -1.910 1.00 21.24 ATOM 25 C GLY 2 7.508 -1.874 -4.001 1.00 30.52 ATOM 26 O GLY 2 7.268 -2.544 -5.006 1.00 31.31 ATOM 27 N HIS 3 8.601 -1.129 -3.873 1.00 11.24 ATOM 28 HN HIS 3 8.748 -0.624 -3.037 1.00 39.96 ATOM 29 CA HIS 3 9.604 -1.054 -4.929 1.00 54.12 ATOM 30 HA HIS 3 9.113 -1.209 -5.883 1.00 24.23 ATOM 31 CB HIS 3 10.262 0.326 -4.939 1.00 64.23 ATOM 32 HB1 HIS 3 10.806 0.472 -4.015 1.00 39.96 ATOM 33 HB2 HIS 3 9.492 1.080 -5.017 1.00 35.01 ATOM 34 CG HIS 3 11.214 0.527 -6.078 1.00 60.23 ATOM 35 ND1 HIS 3 11.023 -0.028 -7.326 1.00 35.21 ATOM 36 HD1 HIS 3 10.269 -0.593 -7.593 1.00 40.32 ATOM 37 CD2 HIS 3 12.369 1.229 -6.154 1.00 20.54 ATOM 38 HD2 HIS 3 12.827 1.797 -5.357 1.00 44.13 ATOM 39 CE1 HIS 3 12.019 0.322 -8.119 1.00 25.21 ATOM 40 HE1 HIS 3 12.134 0.035 -9.154 1.00 10.01 ATOM 41 NE2 HIS 3 12.850 1.085 -7.432 1.00 1.13 ATOM 42 HE2 HIS 3 13.623 1.557 -7.806 1.00 39.96 ATOM 43 C HIS 3 10.664 -2.136 -4.749 1.00 43.24 ATOM 44 O HIS 3 10.896 -2.947 -5.646 1.00 63.41 ATOM 45 N HIS 4 11.306 -2.141 -3.585 1.00 41.03 ATOM 46 HN HIS 4 11.067 -1.470 -2.901 1.00 39.96 ATOM 47 CA HIS 4 12.343 -3.123 -3.288 1.00 74.31 ATOM 48 HA HIS 4 13.079 -3.081 -4.083 1.00 72.40 ATOM 49 CB HIS 4 13.035 -2.782 -1.968 1.00 72.02 ATOM 50 HB1 HIS 4 13.825 -3.498 -1.784 1.00 39.96 ATOM 51 HB2 HIS 4 12.314 -2.834 -1.163 1.00 31.35 ATOM 52 CG HIS 4 13.644 -1.414 -1.948 1.00 10.05 ATOM 53 ND1 HIS 4 14.131 -0.790 -3.077 1.00 13.34 ATOM 54 HD1 HIS 4 14.136 -1.163 -3.983 1.00 51.40 ATOM 55 CD2 HIS 4 13.842 -0.549 -0.926 1.00 4.52 ATOM 56 HD2 HIS 4 13.578 -0.710 0.110 1.00 72.13 ATOM 57 CE1 HIS 4 14.604 0.400 -2.750 1.00 72.31 ATOM 58 HE1 HIS 4 15.048 1.112 -3.430 1.00 60.23 ATOM 59 NE2 HIS 4 14.440 0.571 -1.451 1.00 24.34 ATOM 60 HE2 HIS 4 14.618 1.403 -0.964 1.00 39.96 ATOM 61 C HIS 4 11.755 -4.529 -3.219 1.00 73.52 ATOM 62 O HIS 4 10.922 -4.824 -2.361 1.00 24.23 ATOM 63 N HIS 5 12.192 -5.394 -4.129 1.00 44.02 ATOM 64 HN HIS 5 12.871 -5.106 -4.785 1.00 39.96 ATOM 65 CA HIS 5 11.709 -6.770 -4.172 1.00 1.44 ATOM 66 HA HIS 5 10.657 -6.767 -3.899 1.00 40.20 ATOM 67 CB HIS 5 11.850 -7.339 -5.584 1.00 12.53 ATOM 68 HB1 HIS 5 12.869 -7.655 -5.765 1.00 39.96 ATOM 69 HB2 HIS 5 11.597 -6.566 -6.297 1.00 40.31 ATOM 70 CG HIS 5 10.944 -8.500 -5.854 1.00 62.43 ATOM 71 ND1 HIS 5 11.387 -9.690 -6.393 1.00 73.01 ATOM 72 HD1 HIS 5 12.311 -9.894 -6.648 1.00 40.20 ATOM 73 CD2 HIS 5 9.614 -8.651 -5.656 1.00 13.14 ATOM 74 HD2 HIS 5 8.940 -7.913 -5.244 1.00 73.41 ATOM 75 CE1 HIS 5 10.367 -10.521 -6.516 1.00 24.42 ATOM 76 HE1 HIS 5 10.415 -11.526 -6.909 1.00 5.11 ATOM 77 NE2 HIS 5 9.280 -9.915 -6.075 1.00 31.22 ATOM 78 HE2 HIS 5 8.403 -10.338 -5.964 1.00 39.96 ATOM 79 C HIS 5 12.471 -7.644 -3.180 1.00 11.20 ATOM 80 O HIS 5 13.447 -8.302 -3.540 1.00 24.23 ATOM 81 N HIS 6 12.019 -7.645 -1.930 1.00 55.30 ATOM 82 HN HIS 6 11.240 -7.086 -1.695 1.00 39.96 ATOM 83 CA HIS 6 12.658 -8.438 -0.886 1.00 52.12 ATOM 84 HA HIS 6 13.171 -9.277 -1.344 1.00 74.13 ATOM 85 CB HIS 6 13.670 -7.587 -0.117 1.00 75.54 ATOM 86 HB1 HIS 6 13.841 -8.011 0.865 1.00 39.96 ATOM 87 HB2 HIS 6 13.282 -6.585 -0.002 1.00 75.42 ATOM 88 CG HIS 6 15.002 -7.485 -0.793 1.00 62.22 ATOM 89 ND1 HIS 6 15.348 -6.437 -1.620 1.00 63.51 ATOM 90 HD1 HIS 6 14.777 -5.673 -1.846 1.00 0.20 ATOM 91 CD2 HIS 6 16.077 -8.307 -0.759 1.00 44.23 ATOM 92 HD2 HIS 6 16.160 -9.232 -0.205 1.00 40.02 ATOM 93 CE1 HIS 6 16.578 -6.620 -2.067 1.00 40.11 ATOM 94 HE1 HIS 6 17.113 -5.959 -2.733 1.00 31.23 ATOM 95 NE2 HIS 6 17.043 -7.747 -1.559 1.00 41.01 ATOM 96 HE2 HIS 6 17.963 -8.071 -1.652 1.00 39.96 ATOM 97 C HIS 6 11.620 -9.008 0.076 1.00 73.04 ATOM 98 O HIS 6 10.438 -8.668 0.003 1.00 4.22 ATOM 99 N HIS 7 12.068 -9.878 0.975 1.00 1.33 ATOM 100 HN HIS 7 13.025 -10.122 0.976 1.00 39.96 ATOM 101 CA HIS 7 11.178 -10.495 1.952 1.00 74.44 ATOM 102 HA HIS 7 10.508 -9.735 2.335 1.00 30.23 ATOM 103 CB HIS 7 10.349 -11.598 1.292 1.00 65.42 ATOM 104 HB1 HIS 7 9.647 -11.143 0.608 1.00 39.96 ATOM 105 HB2 HIS 7 9.799 -12.144 2.047 1.00 40.15 ATOM 106 CG HIS 7 11.171 -12.581 0.515 1.00 30.04 ATOM 107 ND1 HIS 7 11.270 -12.559 -0.860 1.00 35.22 ATOM 108 HD1 HIS 7 10.827 -11.919 -1.456 1.00 73.42 ATOM 109 CD2 HIS 7 11.936 -13.618 0.930 1.00 45.44 ATOM 110 HD2 HIS 7 12.092 -13.931 1.953 1.00 24.32 ATOM 111 CE1 HIS 7 12.059 -13.541 -1.258 1.00 53.11 ATOM 112 HE1 HIS 7 12.319 -13.767 -2.281 1.00 45.12 ATOM 113 NE2 HIS 7 12.477 -14.198 -0.191 1.00 60.14 ATOM 114 HE2 HIS 7 13.146 -14.914 -0.195 1.00 39.96 ATOM 115 C HIS 7 11.969 -11.069 3.123 1.00 45.02 ATOM 116 O HIS 7 13.193 -11.189 3.058 1.00 24.14 ATOM 117 N HIS 8 11.263 -11.421 4.193 1.00 63.14 ATOM 118 HN HIS 8 10.281 -11.314 4.182 1.00 39.96 ATOM 119 CA HIS 8 11.901 -11.982 5.379 1.00 53.04 ATOM 120 HA HIS 8 12.850 -11.471 5.516 1.00 32.13 ATOM 121 CB HIS 8 11.028 -11.747 6.612 1.00 72.12 ATOM 122 HB1 HIS 8 10.225 -12.474 6.639 1.00 39.96 ATOM 123 HB2 HIS 8 10.599 -10.756 6.554 1.00 51.43 ATOM 124 CG HIS 8 11.781 -11.831 7.904 1.00 70.54 ATOM 125 ND1 HIS 8 13.005 -11.229 8.102 1.00 43.23 ATOM 126 HD1 HIS 8 13.495 -10.696 7.443 1.00 33.24 ATOM 127 CD2 HIS 8 11.476 -12.452 9.067 1.00 12.44 ATOM 128 HD2 HIS 8 10.584 -13.027 9.272 1.00 74.12 ATOM 129 CE1 HIS 8 13.421 -11.476 9.331 1.00 44.01 ATOM 130 HE1 HIS 8 14.347 -11.130 9.766 1.00 14.21 ATOM 131 NE2 HIS 8 12.511 -12.216 9.938 1.00 2.21 ATOM 132 HE2 HIS 8 12.524 -12.461 10.887 1.00 39.96 ATOM 133 C HIS 8 12.160 -13.475 5.201 1.00 1.02 ATOM 134 O HIS 8 11.298 -14.212 4.722 1.00 23.05 ATOM 135 N SER 9 13.353 -13.914 5.590 1.00 42.44 ATOM 136 HN SER 9 13.999 -13.277 5.981 1.00 39.96 ATOM 137 CA SER 9 13.728 -15.318 5.469 1.00 13.22 ATOM 138 HA SER 9 13.463 -15.658 4.475 1.00 70.22 ATOM 139 CB SER 9 15.237 -15.482 5.654 1.00 24.54 ATOM 140 HB1 SER 9 15.495 -15.405 6.703 1.00 39.96 ATOM 141 HB2 SER 9 15.749 -14.704 5.105 1.00 71.44 ATOM 142 OG SER 9 15.678 -16.737 5.164 1.00 55.13 ATOM 143 HG SER 9 16.618 -16.834 5.332 1.00 40.53 ATOM 144 C SER 9 12.983 -16.169 6.493 1.00 15.52 ATOM 145 O SER 9 12.448 -15.652 7.475 1.00 20.43 ATOM 146 N HIS 10 12.951 -17.476 6.256 1.00 22.23 ATOM 147 HN HIS 10 13.401 -17.831 5.452 1.00 39.96 ATOM 148 CA HIS 10 12.272 -18.400 7.158 1.00 61.33 ATOM 149 HA HIS 10 11.247 -18.060 7.269 1.00 32.01 ATOM 150 CB HIS 10 12.268 -19.811 6.568 1.00 51.24 ATOM 151 HB1 HIS 10 13.254 -20.251 6.661 1.00 39.96 ATOM 152 HB2 HIS 10 12.011 -19.750 5.520 1.00 44.41 ATOM 153 CG HIS 10 11.280 -20.729 7.219 1.00 62.54 ATOM 154 ND1 HIS 10 9.916 -20.556 7.125 1.00 55.34 ATOM 155 HD1 HIS 10 9.463 -19.836 6.638 1.00 5.52 ATOM 156 CD2 HIS 10 11.466 -21.836 7.975 1.00 31.50 ATOM 157 HD2 HIS 10 12.416 -22.269 8.254 1.00 55.30 ATOM 158 CE1 HIS 10 9.305 -21.515 7.797 1.00 75.14 ATOM 159 HE1 HIS 10 8.236 -21.633 7.899 1.00 43.30 ATOM 160 NE2 HIS 10 10.223 -22.306 8.322 1.00 51.12 ATOM 161 HE2 HIS 10 10.046 -23.039 8.948 1.00 39.96 ATOM 162 C HIS 10 12.941 -18.412 8.529 1.00 51.21 ATOM 163 O HIS 10 14.134 -18.138 8.650 1.00 5.31 ATOM 164 N MET 11 12.163 -18.730 9.559 1.00 42.14 ATOM 165 HN MET 11 11.215 -18.954 9.402 1.00 39.96 ATOM 166 CA MET 11 12.681 -18.777 10.921 1.00 21.20 ATOM 167 HA MET 11 13.600 -18.199 10.961 1.00 75.03 ATOM 168 CB MET 11 11.679 -18.151 11.893 1.00 74.25 ATOM 169 HB1 MET 11 10.830 -18.814 12.010 1.00 39.96 ATOM 170 HB2 MET 11 11.332 -17.221 11.460 1.00 31.45 ATOM 171 CG MET 11 12.260 -17.869 13.268 1.00 24.12 ATOM 172 HG1 MET 11 13.316 -17.646 13.173 1.00 39.96 ATOM 173 HG2 MET 11 12.140 -18.754 13.874 1.00 40.23 ATOM 174 SD MET 11 11.462 -16.476 14.088 1.00 51.54 ATOM 175 CE MET 11 11.234 -17.138 15.736 1.00 14.41 ATOM 176 HE1 MET 11 11.124 -16.324 16.437 1.00 42.34 ATOM 177 HE2 MET 11 12.090 -17.736 16.010 1.00 54.04 ATOM 178 HE3 MET 11 10.345 -17.748 15.757 1.00 63.55 ATOM 179 C MET 11 12.983 -20.213 11.338 1.00 12.04 ATOM 180 O MET 11 12.187 -21.119 11.098 1.00 74.33 ATOM 181 N ASN 12 14.138 -20.412 11.965 1.00 60.12 ATOM 182 HN ASN 12 14.734 -19.643 12.135 1.00 39.96 ATOM 183 CA ASN 12 14.545 -21.738 12.415 1.00 72.42 ATOM 184 HA ASN 12 14.538 -22.400 11.556 1.00 32.42 ATOM 185 CB ASN 12 15.960 -21.691 12.994 1.00 20.43 ATOM 186 HB1 ASN 12 16.200 -22.645 13.449 1.00 39.96 ATOM 187 HB2 ASN 12 15.998 -20.925 13.736 1.00 73.42 ATOM 188 CG ASN 12 17.006 -21.382 11.941 1.00 61.22 ATOM 189 OD1 ASN 12 16.726 -20.703 10.953 1.00 64.12 ATOM 190 ND2 ASN 12 18.219 -21.881 12.148 1.00 63.03 ATOM 191 HD21 ASN 12 18.385 -22.417 12.956 1.00 74.20 ATOM 192 HD22 ASN 12 18.910 -21.692 11.479 1.00 50.12 ATOM 193 C ASN 12 13.573 -22.280 13.459 1.00 63.30 ATOM 194 O ASN 12 12.967 -21.518 14.212 1.00 24.55 ATOM 195 N SER 13 13.431 -23.601 13.498 1.00 71.23 ATOM 196 HN SER 13 13.951 -24.160 12.872 1.00 39.96 ATOM 197 CA SER 13 12.531 -24.246 14.447 1.00 10.52 ATOM 198 HA SER 13 11.547 -23.813 14.328 1.00 20.25 ATOM 199 CB SER 13 12.442 -25.746 14.161 1.00 44.23 ATOM 200 HB1 SER 13 11.638 -25.920 13.460 1.00 39.96 ATOM 201 HB2 SER 13 12.242 -26.298 15.071 1.00 61.51 ATOM 202 OG SER 13 13.646 -26.228 13.590 1.00 44.02 ATOM 203 HG SER 13 13.486 -27.076 13.168 1.00 40.15 ATOM 204 C SER 13 13.000 -24.017 15.881 1.00 53.21 ATOM 205 O SER 13 12.252 -23.511 16.717 1.00 53.53 ATOM 206 N ALA 14 14.244 -24.394 16.157 1.00 34.24 ATOM 207 HN ALA 14 14.794 -24.799 15.444 1.00 39.96 ATOM 208 CA ALA 14 14.814 -24.229 17.489 1.00 70.04 ATOM 209 HA ALA 14 14.290 -24.882 18.167 1.00 72.03 ATOM 210 CB ALA 14 16.284 -24.621 17.485 1.00 21.22 ATOM 211 HB1 ALA 14 16.708 -24.475 18.468 1.00 43.15 ATOM 212 HB2 ALA 14 16.817 -24.010 16.771 1.00 32.21 ATOM 213 HB3 ALA 14 16.378 -25.660 17.205 1.00 71.51 ATOM 214 C ALA 14 14.648 -22.796 17.983 1.00 31.11 ATOM 215 O ALA 14 14.429 -22.562 19.171 1.00 3.21 ATOM 216 N GLU 15 14.754 -21.842 17.064 1.00 40.41 ATOM 217 HN GLU 15 14.951 -22.084 16.129 1.00 39.96 ATOM 218 CA GLU 15 14.617 -20.431 17.409 1.00 71.44 ATOM 219 HA GLU 15 15.350 -20.198 18.173 1.00 41.52 ATOM 220 CB GLU 15 14.875 -19.556 16.181 1.00 53.15 ATOM 221 HB1 GLU 15 14.450 -18.572 16.350 1.00 39.96 ATOM 222 HB2 GLU 15 14.396 -19.997 15.325 1.00 31.54 ATOM 223 CG GLU 15 16.349 -19.379 15.858 1.00 71.14 ATOM 224 HG1 GLU 15 16.756 -20.324 15.536 1.00 39.96 ATOM 225 HG2 GLU 15 16.864 -19.058 16.754 1.00 42.12 ATOM 226 CD GLU 15 16.589 -18.341 14.779 1.00 45.01 ATOM 227 OE1 GLU 15 16.042 -17.225 14.896 1.00 51.00 ATOM 228 OE2 GLU 15 17.326 -18.645 13.817 1.00 22.33 ATOM 229 C GLU 15 13.228 -20.141 17.971 1.00 23.41 ATOM 230 O GLU 15 13.091 -19.686 19.106 1.00 34.22 ATOM 231 N GLN 16 12.203 -20.408 17.168 1.00 24.00 ATOM 232 HN GLN 16 12.378 -20.776 16.268 1.00 39.96 ATOM 233 CA GLN 16 10.826 -20.175 17.585 1.00 11.50 ATOM 234 HA GLN 16 10.727 -19.131 17.852 1.00 13.14 ATOM 235 CB GLN 16 9.864 -20.481 16.436 1.00 50.43 ATOM 236 HB1 GLN 16 10.144 -19.885 15.581 1.00 39.96 ATOM 237 HB2 GLN 16 8.861 -20.208 16.740 1.00 61.01 ATOM 238 CG GLN 16 9.867 -21.941 16.013 1.00 54.33 ATOM 239 HG1 GLN 16 9.767 -22.582 16.872 1.00 39.96 ATOM 240 HG2 GLN 16 10.797 -22.145 15.516 1.00 3.02 ATOM 241 CD GLN 16 8.742 -22.272 15.052 1.00 14.00 ATOM 242 OE1 GLN 16 7.949 -21.405 14.684 1.00 52.24 ATOM 243 NE2 GLN 16 8.666 -23.532 14.640 1.00 21.23 ATOM 244 HE21 GLN 16 9.327 -24.184 14.967 1.00 75.13 ATOM 245 HE22 GLN 16 7.945 -23.765 14.018 1.00 65.31 ATOM 246 C GLN 16 10.473 -21.027 18.800 1.00 50.52 ATOM 247 O GLN 16 9.634 -20.645 19.617 1.00 24.22 ATOM 248 N THR 17 11.118 -22.183 18.913 1.00 62.53 ATOM 249 HN THR 17 11.769 -22.449 18.225 1.00 39.96 ATOM 250 CA THR 17 10.872 -23.091 20.026 1.00 14.55 ATOM 251 HA THR 17 9.810 -23.303 20.063 1.00 53.44 ATOM 252 CB THR 17 11.619 -24.424 19.841 1.00 63.41 ATOM 253 HB THR 17 12.673 -24.221 19.761 1.00 53.11 ATOM 254 OG1 THR 17 11.182 -25.068 18.639 1.00 42.13 ATOM 255 HG1 THR 17 11.409 -24.544 17.879 1.00 30.45 ATOM 256 CG2 THR 17 11.386 -25.345 21.029 1.00 71.52 ATOM 257 HG21 THR 17 11.726 -26.321 20.755 1.00 21.32 ATOM 258 HG22 THR 17 10.333 -25.386 21.273 1.00 54.20 ATOM 259 HG23 THR 17 11.948 -24.999 21.884 1.00 22.55 ATOM 260 C THR 17 11.295 -22.464 21.350 1.00 14.21 ATOM 261 O THR 17 10.576 -22.547 22.346 1.00 73.11 ATOM 262 N VAL 18 12.466 -21.835 21.354 1.00 31.13 ATOM 263 HN VAL 18 12.996 -21.798 20.523 1.00 39.96 ATOM 264 CA VAL 18 12.984 -21.192 22.556 1.00 60.11 ATOM 265 HA VAL 18 13.092 -21.950 23.323 1.00 1.11 ATOM 266 CB VAL 18 14.365 -20.559 22.302 1.00 11.44 ATOM 267 HB VAL 18 14.261 -19.793 21.545 1.00 55.31 ATOM 268 CG1 VAL 18 14.893 -19.904 23.570 1.00 50.12 ATOM 269 HG11 VAL 18 15.914 -19.580 23.414 1.00 40.44 ATOM 270 HG12 VAL 18 14.867 -20.611 24.388 1.00 21.44 ATOM 271 HG13 VAL 18 14.290 -19.044 23.820 1.00 60.40 ATOM 272 CG2 VAL 18 15.343 -21.603 21.785 1.00 54.44 ATOM 273 HG21 VAL 18 16.114 -21.798 22.522 1.00 33.13 ATOM 274 HG22 VAL 18 15.808 -21.233 20.885 1.00 15.31 ATOM 275 HG23 VAL 18 14.839 -22.527 21.560 1.00 10.44 ATOM 276 C VAL 18 12.028 -20.116 23.059 1.00 22.42 ATOM 277 O VAL 18 11.541 -20.181 24.189 1.00 62.04 ATOM 278 N THR 19 11.762 -19.126 22.213 1.00 2.23 ATOM 279 HN THR 19 12.178 -19.130 21.318 1.00 39.96 ATOM 280 CA THR 19 10.865 -18.035 22.572 1.00 52.22 ATOM 281 HA THR 19 11.274 -17.536 23.437 1.00 63.03 ATOM 282 CB THR 19 10.746 -17.007 21.431 1.00 71.25 ATOM 283 HB THR 19 10.279 -17.481 20.578 1.00 3.20 ATOM 284 OG1 THR 19 12.047 -16.549 21.046 1.00 21.03 ATOM 285 HG1 THR 19 12.503 -16.134 21.791 1.00 25.14 ATOM 286 CG2 THR 19 9.891 -15.823 21.856 1.00 52.05 ATOM 287 HG21 THR 19 10.235 -15.441 22.808 1.00 63.21 ATOM 288 HG22 THR 19 8.858 -16.127 21.940 1.00 53.11 ATOM 289 HG23 THR 19 9.971 -15.044 21.112 1.00 74.41 ATOM 290 C THR 19 9.475 -18.557 22.917 1.00 51.00 ATOM 291 O THR 19 8.786 -17.998 23.770 1.00 0.14 ATOM 292 N TRP 20 9.069 -19.631 22.250 1.00 63.13 ATOM 293 HN TRP 20 9.653 -20.029 21.563 1.00 39.96 ATOM 294 CA TRP 20 7.760 -20.229 22.487 1.00 23.13 ATOM 295 HA TRP 20 7.008 -19.485 22.271 1.00 5.44 ATOM 296 CB TRP 20 7.545 -21.422 21.554 1.00 12.14 ATOM 297 HB1 TRP 20 8.368 -22.108 21.653 1.00 39.96 ATOM 298 HB2 TRP 20 7.497 -21.066 20.538 1.00 15.35 ATOM 299 CG TRP 20 6.273 -22.166 21.826 1.00 34.21 ATOM 300 CD1 TRP 20 5.025 -21.631 21.972 1.00 11.54 ATOM 301 HD1 TRP 20 4.804 -20.576 21.906 1.00 54.03 ATOM 302 CD2 TRP 20 6.125 -23.581 21.986 1.00 61.33 ATOM 303 NE1 TRP 20 4.111 -22.628 22.213 1.00 14.55 ATOM 304 HE1 TRP 20 3.150 -22.496 22.356 1.00 0.13 ATOM 305 CE2 TRP 20 4.760 -23.833 22.226 1.00 61.54 ATOM 306 CE3 TRP 20 7.013 -24.660 21.947 1.00 35.13 ATOM 307 HE3 TRP 20 8.067 -24.510 21.767 1.00 13.13 ATOM 308 CZ2 TRP 20 4.265 -25.119 22.427 1.00 61.11 ATOM 309 HZ2 TRP 20 3.217 -25.306 22.609 1.00 70.02 ATOM 310 CZ3 TRP 20 6.520 -25.935 22.148 1.00 73.54 ATOM 311 HZ3 TRP 20 7.186 -26.778 22.126 1.00 52.40 ATOM 312 CH2 TRP 20 5.156 -26.157 22.384 1.00 4.41 ATOM 313 HH2 TRP 20 4.828 -27.154 22.528 1.00 31.24 ATOM 314 C TRP 20 7.620 -20.672 23.939 1.00 14.25 ATOM 315 O TRP 20 6.579 -20.463 24.564 1.00 32.25 ATOM 316 N LEU 21 8.672 -21.283 24.472 1.00 70.34 ATOM 317 HN LEU 21 9.479 -21.429 23.923 1.00 39.96 ATOM 318 CA LEU 21 8.665 -21.755 25.852 1.00 65.51 ATOM 319 HA LEU 21 7.770 -22.339 26.008 1.00 61.03 ATOM 320 CB LEU 21 9.888 -22.636 26.116 1.00 4.54 ATOM 321 HB1 LEU 21 9.894 -22.901 27.166 1.00 39.96 ATOM 322 HB2 LEU 21 10.772 -22.047 25.908 1.00 62.43 ATOM 323 CG LEU 21 9.972 -23.929 25.306 1.00 63.24 ATOM 324 HG LEU 21 9.934 -23.693 24.259 1.00 72.12 ATOM 325 CD1 LEU 21 11.285 -24.646 25.579 1.00 65.13 ATOM 326 HD11 LEU 21 12.112 -23.999 25.321 1.00 52.20 ATOM 327 HD12 LEU 21 11.339 -25.545 24.980 1.00 50.14 ATOM 328 HD13 LEU 21 11.348 -24.908 26.627 1.00 61.53 ATOM 329 CD2 LEU 21 8.792 -24.835 25.623 1.00 32.32 ATOM 330 HD21 LEU 21 7.872 -24.349 25.337 1.00 43.20 ATOM 331 HD22 LEU 21 8.771 -25.051 26.682 1.00 53.31 ATOM 332 HD23 LEU 21 8.887 -25.762 25.072 1.00 54.23 ATOM 333 C LEU 21 8.647 -20.584 26.828 1.00 3.32 ATOM 334 O LEU 21 8.084 -20.681 27.919 1.00 41.31 ATOM 335 N ILE 22 9.265 -19.477 26.428 1.00 72.30 ATOM 336 HN ILE 22 9.696 -19.450 25.543 1.00 39.96 ATOM 337 CA ILE 22 9.316 -18.286 27.266 1.00 23.13 ATOM 338 HA ILE 22 9.568 -18.587 28.270 1.00 30.40 ATOM 339 CB ILE 22 10.389 -17.297 26.773 1.00 10.15 ATOM 340 HB ILE 22 10.108 -16.954 25.785 1.00 51.24 ATOM 341 CG1 ILE 22 11.752 -17.987 26.694 1.00 4.24 ATOM 342 HG11 ILE 22 11.667 -18.915 26.160 1.00 39.96 ATOM 343 HG12 ILE 22 12.109 -18.194 27.693 1.00 1.13 ATOM 344 CG2 ILE 22 10.455 -16.086 27.692 1.00 54.20 ATOM 345 HG21 ILE 22 11.232 -15.413 27.358 1.00 63.43 ATOM 346 HG22 ILE 22 10.673 -16.405 28.701 1.00 4.32 ATOM 347 HG23 ILE 22 9.513 -15.559 27.680 1.00 34.34 ATOM 348 CD1 ILE 22 12.808 -17.161 25.993 1.00 12.20 ATOM 349 HD11 ILE 22 12.455 -16.865 25.019 1.00 54.53 ATOM 350 HD12 ILE 22 13.708 -17.747 25.884 1.00 21.34 ATOM 351 HD13 ILE 22 13.022 -16.287 26.575 1.00 32.35 ATOM 352 C ILE 22 7.966 -17.579 27.300 1.00 12.22 ATOM 353 O ILE 22 7.424 -17.301 28.371 1.00 73.44 ATOM 354 N THR 23 7.425 -17.290 26.120 1.00 21.43 ATOM 355 HN THR 23 7.910 -17.531 25.297 1.00 39.96 ATOM 356 CA THR 23 6.137 -16.616 26.014 1.00 24.20 ATOM 357 HA THR 23 6.231 -15.637 26.464 1.00 30.54 ATOM 358 CB THR 23 5.721 -16.430 24.543 1.00 55.01 ATOM 359 HB THR 23 6.507 -15.897 24.027 1.00 72.21 ATOM 360 OG1 THR 23 4.511 -15.667 24.469 1.00 31.22 ATOM 361 HG1 THR 23 4.713 -14.732 24.558 1.00 32.22 ATOM 362 CG2 THR 23 5.520 -17.776 23.863 1.00 54.22 ATOM 363 HG21 THR 23 5.264 -17.615 22.826 1.00 35.35 ATOM 364 HG22 THR 23 4.728 -18.330 24.342 1.00 34.25 ATOM 365 HG23 THR 23 6.426 -18.322 23.918 1.00 22.24 ATOM 366 C THR 23 5.048 -17.393 26.745 1.00 61.15 ATOM 367 O THR 23 4.046 -16.821 27.176 1.00 61.02 ATOM 368 N LEU 24 5.250 -18.699 26.881 1.00 12.01 ATOM 369 HN LEU 24 6.041 -19.121 26.478 1.00 39.96 ATOM 370 CA LEU 24 4.284 -19.555 27.561 1.00 22.32 ATOM 371 HA LEU 24 3.287 -19.263 27.249 1.00 2.30 ATOM 372 CB LEU 24 4.514 -21.019 27.181 1.00 63.01 ATOM 373 HB1 LEU 24 4.148 -21.653 27.984 1.00 39.96 ATOM 374 HB2 LEU 24 5.585 -21.172 27.109 1.00 13.22 ATOM 375 CG LEU 24 3.867 -21.483 25.876 1.00 74.30 ATOM 376 HG LEU 24 3.904 -20.682 25.150 1.00 50.42 ATOM 377 CD1 LEU 24 4.625 -22.667 25.295 1.00 35.15 ATOM 378 HD11 LEU 24 3.939 -23.409 24.905 1.00 33.23 ATOM 379 HD12 LEU 24 5.244 -23.114 26.052 1.00 61.25 ATOM 380 HD13 LEU 24 5.255 -22.328 24.502 1.00 60.34 ATOM 381 CD2 LEU 24 2.406 -21.843 26.104 1.00 33.12 ATOM 382 HD21 LEU 24 1.957 -22.146 25.168 1.00 20.43 ATOM 383 HD22 LEU 24 1.877 -20.983 26.489 1.00 54.25 ATOM 384 HD23 LEU 24 2.336 -22.655 26.815 1.00 21.24 ATOM 385 C LEU 24 4.381 -19.390 29.074 1.00 14.14 ATOM 386 O LEU 24 3.412 -19.621 29.797 1.00 2.33 ATOM 387 N GLY 25 5.556 -18.986 29.547 1.00 21.40 ATOM 388 HN GLY 25 6.311 -18.845 28.948 1.00 39.96 ATOM 389 CA GLY 25 5.757 -18.795 30.971 1.00 13.35 ATOM 390 HA1 GLY 25 4.850 -18.412 31.425 1.00 39.96 ATOM 391 HA2 GLY 25 6.543 -18.068 31.110 1.00 40.22 ATOM 392 C GLY 25 6.156 -20.075 31.678 1.00 14.02 ATOM 393 O GLY 25 5.769 -20.307 32.824 1.00 75.04 ATOM 394 N VAL 26 6.931 -20.910 30.994 1.00 70.12 ATOM 395 HN VAL 26 7.222 -20.666 30.092 1.00 39.96 ATOM 396 CA VAL 26 7.382 -22.174 31.563 1.00 61.52 ATOM 397 HA VAL 26 6.995 -22.277 32.572 1.00 23.41 ATOM 398 CB VAL 26 6.883 -23.373 30.734 1.00 44.23 ATOM 399 HB VAL 26 7.402 -24.267 31.057 1.00 13.12 ATOM 400 CG1 VAL 26 5.396 -23.598 30.961 1.00 24.13 ATOM 401 HG11 VAL 26 5.215 -23.793 32.008 1.00 70.13 ATOM 402 HG12 VAL 26 5.066 -24.436 30.384 1.00 45.35 ATOM 403 HG13 VAL 26 4.849 -22.717 30.663 1.00 4.12 ATOM 404 CG2 VAL 26 7.179 -23.158 29.257 1.00 75.01 ATOM 405 HG21 VAL 26 6.898 -24.046 28.708 1.00 22.24 ATOM 406 HG22 VAL 26 8.230 -22.974 29.105 1.00 25.33 ATOM 407 HG23 VAL 26 6.606 -22.323 28.885 1.00 14.52 ATOM 408 C VAL 26 8.903 -22.227 31.648 1.00 63.12 ATOM 409 O VAL 26 9.465 -22.832 32.563 1.00 55.34 ATOM 410 N LEU 27 9.566 -21.590 30.689 1.00 2.11 ATOM 411 HN LEU 27 9.087 -21.145 29.962 1.00 39.96 ATOM 412 CA LEU 27 11.024 -21.563 30.655 1.00 64.10 ATOM 413 HA LEU 27 11.408 -22.065 31.536 1.00 74.10 ATOM 414 CB LEU 27 11.539 -22.308 29.422 1.00 22.22 ATOM 415 HB1 LEU 27 11.050 -21.872 28.563 1.00 39.96 ATOM 416 HB2 LEU 27 11.237 -23.334 29.492 1.00 60.13 ATOM 417 CG LEU 27 13.048 -22.248 29.183 1.00 42.30 ATOM 418 HG LEU 27 13.371 -21.225 29.158 1.00 63.12 ATOM 419 CD1 LEU 27 13.796 -22.945 30.309 1.00 14.54 ATOM 420 HD11 LEU 27 13.502 -23.985 30.354 1.00 4.53 ATOM 421 HD12 LEU 27 13.566 -22.467 31.250 1.00 60.02 ATOM 422 HD13 LEU 27 14.861 -22.881 30.131 1.00 62.42 ATOM 423 CD2 LEU 27 13.401 -22.872 27.841 1.00 52.45 ATOM 424 HD21 LEU 27 14.467 -22.800 27.677 1.00 22.14 ATOM 425 HD22 LEU 27 12.884 -22.347 27.050 1.00 53.31 ATOM 426 HD23 LEU 27 13.106 -23.913 27.833 1.00 0.11 ATOM 427 C LEU 27 11.543 -20.128 30.649 1.00 34.54 ATOM 428 O LEU 27 11.068 -19.290 29.884 1.00 73.43 ATOM 429 N GLU 28 12.521 -19.855 31.507 1.00 14.51 ATOM 430 HN GLU 28 12.862 -20.569 32.096 1.00 39.96 ATOM 431 CA GLU 28 13.104 -18.521 31.599 1.00 32.21 ATOM 432 HA GLU 28 12.310 -17.820 31.818 1.00 73.21 ATOM 433 CB GLU 28 14.133 -18.467 32.730 1.00 34.44 ATOM 434 HB1 GLU 28 13.704 -18.922 33.612 1.00 39.96 ATOM 435 HB2 GLU 28 14.357 -17.431 32.943 1.00 11.51 ATOM 436 CG GLU 28 15.434 -19.181 32.404 1.00 0.51 ATOM 437 HG1 GLU 28 15.892 -18.718 31.543 1.00 39.96 ATOM 438 HG2 GLU 28 15.218 -20.215 32.182 1.00 71.14 ATOM 439 CD GLU 28 16.428 -19.132 33.548 1.00 63.51 ATOM 440 OE1 GLU 28 16.118 -19.682 34.626 1.00 44.20 ATOM 441 OE2 GLU 28 17.515 -18.546 33.366 1.00 44.14 ATOM 442 C GLU 28 13.760 -18.122 30.281 1.00 62.35 ATOM 443 O GLU 28 13.955 -18.955 29.395 1.00 4.11 ATOM 444 N SER 29 14.098 -16.843 30.158 1.00 51.43 ATOM 445 HN SER 29 13.934 -16.223 30.909 1.00 39.96 ATOM 446 CA SER 29 14.728 -16.331 28.946 1.00 22.23 ATOM 447 HA SER 29 14.455 -16.978 28.127 1.00 44.53 ATOM 448 CB SER 29 14.223 -14.920 28.640 1.00 5.22 ATOM 449 HB1 SER 29 13.315 -14.725 29.195 1.00 39.96 ATOM 450 HB2 SER 29 14.019 -14.824 27.589 1.00 64.42 ATOM 451 OG SER 29 15.187 -13.945 29.000 1.00 52.44 ATOM 452 HG SER 29 14.871 -13.074 28.750 1.00 61.42 ATOM 453 C SER 29 16.247 -16.321 29.087 1.00 3.11 ATOM 454 O SER 29 16.794 -16.362 30.189 1.00 5.43 ATOM 455 N PRO 30 16.946 -16.265 27.944 1.00 63.33 ATOM 456 CA PRO 30 18.412 -16.248 27.912 1.00 52.22 ATOM 457 HA PRO 30 18.831 -17.075 28.467 1.00 15.24 ATOM 458 CB PRO 30 18.736 -16.411 26.425 1.00 62.22 ATOM 459 HB1 PRO 30 18.884 -17.457 26.213 1.00 39.96 ATOM 460 HB2 PRO 30 19.629 -15.860 26.156 1.00 74.12 ATOM 461 CG PRO 30 17.535 -15.887 25.715 1.00 25.34 ATOM 462 HG1 PRO 30 17.427 -16.364 24.756 1.00 39.96 ATOM 463 HG2 PRO 30 17.621 -14.818 25.593 1.00 72.22 ATOM 464 CD PRO 30 16.360 -16.215 26.594 1.00 52.40 ATOM 465 HD1 PRO 30 15.937 -17.170 26.319 1.00 39.96 ATOM 466 HD2 PRO 30 15.627 -15.440 26.506 1.00 15.35 ATOM 467 C PRO 30 18.988 -14.939 28.442 1.00 74.10 ATOM 468 O PRO 30 18.250 -14.058 28.885 1.00 20.40 ATOM 469 N LYS 31 20.310 -14.817 28.394 1.00 72.34 ATOM 470 HN LYS 31 20.853 -15.562 28.044 1.00 39.96 ATOM 471 CA LYS 31 20.986 -13.615 28.867 1.00 33.32 ATOM 472 HA LYS 31 20.281 -12.999 29.406 1.00 3.14 ATOM 473 CB LYS 31 22.140 -13.988 29.800 1.00 31.53 ATOM 474 HB1 LYS 31 22.963 -13.292 29.671 1.00 39.96 ATOM 475 HB2 LYS 31 22.493 -14.978 29.540 1.00 71.41 ATOM 476 CG LYS 31 21.753 -14.007 31.269 1.00 71.30 ATOM 477 HG1 LYS 31 22.479 -14.607 31.800 1.00 39.96 ATOM 478 HG2 LYS 31 20.775 -14.461 31.381 1.00 42.13 ATOM 479 CD LYS 31 21.756 -12.609 31.864 1.00 31.44 ATOM 480 HD1 LYS 31 22.283 -11.923 31.213 1.00 39.96 ATOM 481 HD2 LYS 31 22.261 -12.644 32.819 1.00 41.01 ATOM 482 CE LYS 31 20.342 -12.091 32.076 1.00 52.42 ATOM 483 HE1 LYS 31 19.681 -12.489 31.320 1.00 39.96 ATOM 484 HE2 LYS 31 20.359 -11.015 31.996 1.00 61.54 ATOM 485 NZ LYS 31 19.811 -12.457 33.418 1.00 23.40 ATOM 486 HZ1 LYS 31 18.845 -12.088 33.530 1.00 62.54 ATOM 487 HZ2 LYS 31 20.410 -12.053 34.167 1.00 11.15 ATOM 488 HZ3 LYS 31 19.787 -13.492 33.528 1.00 22.24 ATOM 489 C LYS 31 21.511 -12.789 27.697 1.00 33.52 ATOM 490 O LYS 31 21.616 -11.566 27.785 1.00 4.01 ATOM 491 N LYS 32 21.837 -13.466 26.601 1.00 3.30 ATOM 492 HN LYS 32 21.775 -14.445 26.588 1.00 39.96 ATOM 493 CA LYS 32 22.349 -12.795 25.412 1.00 74.14 ATOM 494 HA LYS 32 21.953 -11.787 25.378 1.00 13.42 ATOM 495 CB LYS 32 23.876 -12.722 25.460 1.00 45.54 ATOM 496 HB1 LYS 32 24.157 -12.036 26.247 1.00 39.96 ATOM 497 HB2 LYS 32 24.252 -12.339 24.520 1.00 44.50 ATOM 498 CG LYS 32 24.541 -14.058 25.743 1.00 41.45 ATOM 499 HG1 LYS 32 24.216 -14.778 25.004 1.00 39.96 ATOM 500 HG2 LYS 32 24.244 -14.391 26.727 1.00 35.10 ATOM 501 CD LYS 32 26.056 -13.949 25.691 1.00 11.10 ATOM 502 HD1 LYS 32 26.380 -13.157 26.354 1.00 39.96 ATOM 503 HD2 LYS 32 26.356 -13.718 24.680 1.00 34.14 ATOM 504 CE LYS 32 26.723 -15.248 26.117 1.00 73.03 ATOM 505 HE1 LYS 32 27.749 -15.231 25.781 1.00 39.96 ATOM 506 HE2 LYS 32 26.214 -16.086 25.658 1.00 72.33 ATOM 507 NZ LYS 32 26.708 -15.420 27.596 1.00 62.22 ATOM 508 HZ1 LYS 32 27.204 -14.629 28.058 1.00 55.35 ATOM 509 HZ2 LYS 32 27.185 -16.307 27.854 1.00 24.04 ATOM 510 HZ3 LYS 32 25.729 -15.456 27.947 1.00 4.11 ATOM 511 C LYS 32 21.904 -13.519 24.145 1.00 34.20 ATOM 512 O LYS 32 21.256 -14.565 24.210 1.00 43.04 ATOM 513 N THR 33 22.256 -12.957 22.993 1.00 74.43 ATOM 514 HN THR 33 22.761 -12.110 23.001 1.00 39.96 ATOM 515 CA THR 33 21.893 -13.550 21.711 1.00 12.53 ATOM 516 HA THR 33 20.812 -13.505 21.630 1.00 20.34 ATOM 517 CB THR 33 22.506 -12.765 20.536 1.00 1.02 ATOM 518 HB THR 33 23.549 -13.040 20.427 1.00 22.23 ATOM 519 OG1 THR 33 22.433 -11.359 20.795 1.00 50.52 ATOM 520 HG1 THR 33 23.115 -10.902 20.296 1.00 74.12 ATOM 521 CG2 THR 33 21.784 -13.085 19.236 1.00 13.02 ATOM 522 HG21 THR 33 21.867 -14.142 19.026 1.00 60.05 ATOM 523 HG22 THR 33 22.232 -12.523 18.430 1.00 4.03 ATOM 524 HG23 THR 33 20.741 -12.815 19.324 1.00 55.44 ATOM 525 C THR 33 22.346 -15.003 21.629 1.00 2.41 ATOM 526 O THR 33 23.459 -15.339 22.034 1.00 44.10 ATOM 527 N ILE 34 21.478 -15.859 21.103 1.00 70.55 ATOM 528 HN ILE 34 20.601 -15.538 20.790 1.00 39.96 ATOM 529 CA ILE 34 21.791 -17.276 20.966 1.00 60.51 ATOM 530 HA ILE 34 22.719 -17.485 21.494 1.00 32.31 ATOM 531 CB ILE 34 20.695 -18.158 21.594 1.00 63.24 ATOM 532 HB ILE 34 19.769 -17.981 21.064 1.00 20.41 ATOM 533 CG1 ILE 34 20.501 -17.796 23.068 1.00 62.44 ATOM 534 HG11 ILE 34 20.288 -16.739 23.155 1.00 39.96 ATOM 535 HG12 ILE 34 21.406 -18.019 23.615 1.00 63.12 ATOM 536 CG2 ILE 34 21.051 -19.630 21.446 1.00 32.12 ATOM 537 HG21 ILE 34 22.009 -19.820 21.911 1.00 33.34 ATOM 538 HG22 ILE 34 21.103 -19.896 20.402 1.00 43.41 ATOM 539 HG23 ILE 34 20.302 -20.247 21.917 1.00 2.04 ATOM 540 CD1 ILE 34 19.363 -18.543 23.728 1.00 3.31 ATOM 541 HD11 ILE 34 18.647 -17.837 24.097 1.00 75.24 ATOM 542 HD12 ILE 34 19.746 -19.124 24.553 1.00 13.41 ATOM 543 HD13 ILE 34 18.871 -19.203 23.027 1.00 5.14 ATOM 544 C ILE 34 21.962 -17.663 19.501 1.00 74.03 ATOM 545 O ILE 34 21.006 -17.633 18.725 1.00 63.30 ATOM 546 N SER 35 23.185 -18.027 19.129 1.00 74.40 ATOM 547 HN SER 35 23.911 -18.048 19.798 1.00 39.96 ATOM 548 CA SER 35 23.482 -18.419 17.756 1.00 55.51 ATOM 549 HA SER 35 22.828 -17.872 17.087 1.00 34.20 ATOM 550 CB SER 35 24.929 -18.070 17.406 1.00 43.54 ATOM 551 HB1 SER 35 25.600 -18.831 17.784 1.00 39.96 ATOM 552 HB2 SER 35 25.186 -17.119 17.854 1.00 41.23 ATOM 553 OG SER 35 25.103 -17.962 16.003 1.00 11.13 ATOM 554 HG SER 35 24.791 -17.104 15.703 1.00 63.31 ATOM 555 C SER 35 23.243 -19.912 17.553 1.00 51.33 ATOM 556 O SER 35 22.957 -20.360 16.442 1.00 22.45 ATOM 557 N ASP 36 23.362 -20.676 18.633 1.00 45.41 ATOM 558 HN ASP 36 23.577 -20.271 19.500 1.00 39.96 ATOM 559 CA ASP 36 23.159 -22.119 18.575 1.00 2.52 ATOM 560 HA ASP 36 22.920 -22.412 17.561 1.00 53.34 ATOM 561 CB ASP 36 24.441 -22.852 18.974 1.00 72.04 ATOM 562 HB1 ASP 36 25.143 -22.795 18.154 1.00 39.96 ATOM 563 HB2 ASP 36 24.226 -23.893 19.178 1.00 55.32 ATOM 564 CG ASP 36 25.097 -22.247 20.199 1.00 34.45 ATOM 565 OD1 ASP 36 24.780 -22.693 21.322 1.00 60.21 ATOM 566 OD2 ASP 36 25.926 -21.328 20.036 1.00 11.34 ATOM 567 C ASP 36 22.012 -22.542 19.486 1.00 35.54 ATOM 568 O ASP 36 22.214 -23.135 20.547 1.00 44.44 ATOM 569 N PRO 37 20.776 -22.232 19.066 1.00 22.11 ATOM 570 CA PRO 37 19.572 -22.571 19.830 1.00 73.02 ATOM 571 HA PRO 37 19.631 -22.208 20.846 1.00 72.25 ATOM 572 CB PRO 37 18.459 -21.830 19.085 1.00 51.43 ATOM 573 HB1 PRO 37 18.304 -20.866 19.545 1.00 39.96 ATOM 574 HB2 PRO 37 17.534 -22.394 19.112 1.00 11.51 ATOM 575 CG PRO 37 18.969 -21.681 17.693 1.00 50.31 ATOM 576 HG1 PRO 37 18.537 -20.803 17.236 1.00 39.96 ATOM 577 HG2 PRO 37 18.728 -22.562 17.117 1.00 33.22 ATOM 578 CD PRO 37 20.460 -21.527 17.813 1.00 40.04 ATOM 579 HD1 PRO 37 20.711 -20.483 17.884 1.00 39.96 ATOM 580 HD2 PRO 37 20.950 -21.983 16.967 1.00 11.52 ATOM 581 C PRO 37 19.296 -24.071 19.843 1.00 44.21 ATOM 582 O PRO 37 18.529 -24.562 20.670 1.00 64.51 ATOM 583 N GLU 38 19.928 -24.792 18.922 1.00 53.24 ATOM 584 HN GLU 38 20.503 -24.352 18.260 1.00 39.96 ATOM 585 CA GLU 38 19.749 -26.236 18.828 1.00 23.04 ATOM 586 HA GLU 38 18.690 -26.439 18.727 1.00 2.31 ATOM 587 CB GLU 38 20.481 -26.785 17.602 1.00 40.54 ATOM 588 HB1 GLU 38 20.502 -27.868 17.657 1.00 39.96 ATOM 589 HB2 GLU 38 21.495 -26.414 17.607 1.00 41.30 ATOM 590 CG GLU 38 19.838 -26.391 16.283 1.00 55.14 ATOM 591 HG1 GLU 38 19.932 -25.322 16.157 1.00 39.96 ATOM 592 HG2 GLU 38 18.791 -26.659 16.308 1.00 71.42 ATOM 593 CD GLU 38 20.479 -27.078 15.093 1.00 74.23 ATOM 594 OE1 GLU 38 19.855 -27.093 14.011 1.00 62.45 ATOM 595 OE2 GLU 38 21.602 -27.601 15.243 1.00 5.13 ATOM 596 C GLU 38 20.257 -26.929 20.089 1.00 21.53 ATOM 597 O GLU 38 19.665 -27.900 20.558 1.00 32.43 ATOM 598 N GLY 39 21.360 -26.423 20.633 1.00 32.01 ATOM 599 HN GLY 39 21.813 -25.656 20.218 1.00 39.96 ATOM 600 CA GLY 39 21.930 -27.006 21.834 1.00 51.33 ATOM 601 HA1 GLY 39 22.989 -26.794 21.848 1.00 39.96 ATOM 602 HA2 GLY 39 21.795 -28.081 21.823 1.00 10.13 ATOM 603 C GLY 39 21.312 -26.446 23.100 1.00 41.24 ATOM 604 O GLY 39 21.055 -27.182 24.052 1.00 22.41 ATOM 605 N PHE 40 21.074 -25.138 23.112 1.00 62.42 ATOM 606 HN PHE 40 21.312 -24.593 22.324 1.00 39.96 ATOM 607 CA PHE 40 20.485 -24.479 24.272 1.00 62.34 ATOM 608 HA PHE 40 21.171 -24.584 25.101 1.00 12.20 ATOM 609 CB PHE 40 20.277 -22.990 23.987 1.00 34.44 ATOM 610 HB1 PHE 40 19.741 -22.885 23.052 1.00 39.96 ATOM 611 HB2 PHE 40 21.245 -22.515 23.887 1.00 63.43 ATOM 612 CG PHE 40 19.507 -22.277 25.062 1.00 73.21 ATOM 613 CD1 PHE 40 20.156 -21.761 26.172 1.00 63.33 ATOM 614 HD1 PHE 40 21.228 -21.873 26.265 1.00 13.44 ATOM 615 CD2 PHE 40 18.134 -22.122 24.962 1.00 75.11 ATOM 616 HD2 PHE 40 17.613 -22.520 24.102 1.00 5.31 ATOM 617 CE1 PHE 40 19.450 -21.105 27.162 1.00 30.31 ATOM 618 HE1 PHE 40 19.968 -20.708 28.022 1.00 70.21 ATOM 619 CE2 PHE 40 17.422 -21.467 25.949 1.00 51.40 ATOM 620 HE2 PHE 40 16.352 -21.353 25.859 1.00 71.31 ATOM 621 CZ PHE 40 18.081 -20.957 27.050 1.00 3.41 ATOM 622 HZ PHE 40 17.527 -20.445 27.823 1.00 43.23 ATOM 623 C PHE 40 19.156 -25.128 24.649 1.00 44.40 ATOM 624 O PHE 40 18.738 -25.085 25.807 1.00 40.43 ATOM 625 N LEU 41 18.497 -25.727 23.664 1.00 21.40 ATOM 626 HN LEU 41 18.846 -25.697 22.746 1.00 39.96 ATOM 627 CA LEU 41 17.215 -26.385 23.891 1.00 72.00 ATOM 628 HA LEU 41 16.667 -25.818 24.629 1.00 41.12 ATOM 629 CB LEU 41 16.411 -26.441 22.591 1.00 71.33 ATOM 630 HB1 LEU 41 15.681 -27.242 22.661 1.00 39.96 ATOM 631 HB2 LEU 41 17.101 -26.684 21.795 1.00 62.55 ATOM 632 CG LEU 41 15.671 -25.161 22.203 1.00 13.43 ATOM 633 HG LEU 41 16.376 -24.344 22.164 1.00 75.32 ATOM 634 CD1 LEU 41 15.042 -25.304 20.826 1.00 14.51 ATOM 635 HD11 LEU 41 14.564 -24.387 20.557 1.00 51.35 ATOM 636 HD12 LEU 41 14.310 -26.100 20.839 1.00 41.22 ATOM 637 HD13 LEU 41 15.807 -25.536 20.100 1.00 33.13 ATOM 638 CD2 LEU 41 14.612 -24.821 23.243 1.00 63.24 ATOM 639 HD21 LEU 41 15.087 -24.590 24.183 1.00 32.22 ATOM 640 HD22 LEU 41 13.946 -25.662 23.375 1.00 71.02 ATOM 641 HD23 LEU 41 14.038 -23.965 22.918 1.00 51.25 ATOM 642 C LEU 41 17.415 -27.794 24.440 1.00 71.02 ATOM 643 O LEU 41 16.804 -28.174 25.438 1.00 14.51 ATOM 644 N GLN 42 18.276 -28.563 23.782 1.00 62.15 ATOM 645 HN GLN 42 18.731 -28.204 22.982 1.00 39.96 ATOM 646 CA GLN 42 18.558 -29.930 24.205 1.00 13.41 ATOM 647 HA GLN 42 17.660 -30.514 24.061 1.00 74.54 ATOM 648 CB GLN 42 19.680 -30.528 23.356 1.00 65.11 ATOM 649 HB1 GLN 42 20.577 -29.935 23.483 1.00 39.96 ATOM 650 HB2 GLN 42 19.380 -30.482 22.318 1.00 22.15 ATOM 651 CG GLN 42 19.989 -31.979 23.690 1.00 10.43 ATOM 652 HG1 GLN 42 20.371 -32.455 22.798 1.00 39.96 ATOM 653 HG2 GLN 42 19.080 -32.484 23.992 1.00 11.52 ATOM 654 CD GLN 42 21.030 -32.117 24.783 1.00 4.22 ATOM 655 OE1 GLN 42 22.198 -31.776 24.591 1.00 70.22 ATOM 656 NE2 GLN 42 20.613 -32.619 25.939 1.00 15.45 ATOM 657 HE21 GLN 42 19.669 -32.875 26.040 1.00 30.43 ATOM 658 HE22 GLN 42 21.273 -32.715 26.657 1.00 45.32 ATOM 659 C GLN 42 18.941 -29.974 25.681 1.00 62.14 ATOM 660 O GLN 42 18.501 -30.854 26.420 1.00 62.01 ATOM 661 N ALA 43 19.764 -29.020 26.102 1.00 2.50 ATOM 662 HN ALA 43 20.090 -28.341 25.464 1.00 39.96 ATOM 663 CA ALA 43 20.205 -28.949 27.489 1.00 24.05 ATOM 664 HA ALA 43 20.493 -29.944 27.810 1.00 52.51 ATOM 665 CB ALA 43 21.428 -28.052 27.609 1.00 4.24 ATOM 666 HB1 ALA 43 22.208 -28.423 26.961 1.00 34.21 ATOM 667 HB2 ALA 43 21.782 -28.053 28.631 1.00 74.54 ATOM 668 HB3 ALA 43 21.170 -27.043 27.317 1.00 40.42 ATOM 669 C ALA 43 19.087 -28.446 28.396 1.00 23.43 ATOM 670 O ALA 43 18.843 -29.006 29.465 1.00 30.11 ATOM 671 N SER 44 18.412 -27.387 27.963 1.00 15.12 ATOM 672 HN SER 44 18.656 -26.976 27.099 1.00 39.96 ATOM 673 CA SER 44 17.322 -26.806 28.739 1.00 52.03 ATOM 674 HA SER 44 17.713 -26.514 29.704 1.00 11.24 ATOM 675 CB SER 44 16.772 -25.564 28.034 1.00 33.33 ATOM 676 HB1 SER 44 15.802 -25.306 28.444 1.00 39.96 ATOM 677 HB2 SER 44 16.669 -25.763 26.978 1.00 24.04 ATOM 678 OG SER 44 17.635 -24.454 28.209 1.00 31.24 ATOM 679 HG SER 44 18.367 -24.513 27.589 1.00 71.51 ATOM 680 C SER 44 16.203 -27.822 28.950 1.00 65.11 ATOM 681 O SER 44 15.457 -27.747 29.927 1.00 72.22 ATOM 682 N LEU 45 16.094 -28.772 28.027 1.00 12.45 ATOM 683 HN LEU 45 16.693 -28.780 27.248 1.00 39.96 ATOM 684 CA LEU 45 15.067 -29.804 28.111 1.00 72.41 ATOM 685 HA LEU 45 14.296 -29.486 28.803 1.00 44.21 ATOM 686 CB LEU 45 14.420 -30.020 26.742 1.00 50.14 ATOM 687 HB1 LEU 45 13.605 -30.724 26.857 1.00 39.96 ATOM 688 HB2 LEU 45 15.164 -30.473 26.105 1.00 64.45 ATOM 689 CG LEU 45 13.900 -28.765 26.040 1.00 41.22 ATOM 690 HG LEU 45 14.437 -27.894 26.389 1.00 14.34 ATOM 691 CD1 LEU 45 14.124 -28.861 24.539 1.00 71.13 ATOM 692 HD11 LEU 45 15.132 -29.163 24.326 1.00 11.14 ATOM 693 HD12 LEU 45 13.935 -27.902 24.084 1.00 51.43 ATOM 694 HD13 LEU 45 13.449 -29.595 24.121 1.00 41.30 ATOM 695 CD2 LEU 45 12.425 -28.553 26.349 1.00 61.34 ATOM 696 HD21 LEU 45 12.278 -28.504 27.420 1.00 61.51 ATOM 697 HD22 LEU 45 11.855 -29.370 25.946 1.00 11.34 ATOM 698 HD23 LEU 45 12.091 -27.627 25.901 1.00 53.35 ATOM 699 C LEU 45 15.654 -31.117 28.621 1.00 43.53 ATOM 700 O LEU 45 15.066 -32.183 28.443 1.00 30.42 ATOM 701 N LYS 46 16.818 -31.030 29.257 1.00 75.30 ATOM 702 HN LYS 46 17.236 -30.162 29.404 1.00 39.96 ATOM 703 CA LYS 46 17.484 -32.209 29.797 1.00 63.34 ATOM 704 HA LYS 46 17.466 -32.984 29.039 1.00 24.11 ATOM 705 CB LYS 46 18.940 -31.886 30.138 1.00 5.42 ATOM 706 HB1 LYS 46 18.967 -31.226 30.998 1.00 39.96 ATOM 707 HB2 LYS 46 19.385 -31.379 29.294 1.00 32.52 ATOM 708 CG LYS 46 19.783 -33.114 30.437 1.00 53.20 ATOM 709 HG1 LYS 46 19.881 -33.699 29.534 1.00 39.96 ATOM 710 HG2 LYS 46 19.283 -33.696 31.191 1.00 34.13 ATOM 711 CD LYS 46 21.168 -32.733 30.932 1.00 70.13 ATOM 712 HD1 LYS 46 21.122 -31.792 31.469 1.00 39.96 ATOM 713 HD2 LYS 46 21.823 -32.627 30.080 1.00 20.11 ATOM 714 CE LYS 46 21.737 -33.792 31.864 1.00 43.42 ATOM 715 HE1 LYS 46 21.404 -34.773 31.547 1.00 39.96 ATOM 716 HE2 LYS 46 21.381 -33.600 32.864 1.00 73.13 ATOM 717 NZ LYS 46 23.226 -33.779 31.874 1.00 44.03 ATOM 718 HZ1 LYS 46 23.578 -32.853 32.195 1.00 12.45 ATOM 719 HZ2 LYS 46 23.597 -33.967 30.919 1.00 34.11 ATOM 720 HZ3 LYS 46 23.582 -34.513 32.519 1.00 54.04 ATOM 721 C LYS 46 16.762 -32.723 31.038 1.00 12.51 ATOM 722 O LYS 46 16.339 -33.878 31.089 1.00 41.32 ATOM 723 N ASP 47 16.623 -31.857 32.036 1.00 13.11 ATOM 724 HN ASP 47 16.957 -30.939 31.911 1.00 39.96 ATOM 725 CA ASP 47 15.949 -32.222 33.277 1.00 73.13 ATOM 726 HA ASP 47 16.500 -33.034 33.732 1.00 22.43 ATOM 727 CB ASP 47 15.933 -31.036 34.242 1.00 51.32 ATOM 728 HB1 ASP 47 15.700 -31.393 35.234 1.00 39.96 ATOM 729 HB2 ASP 47 15.178 -30.324 33.933 1.00 74.10 ATOM 730 CG ASP 47 17.265 -30.315 34.295 1.00 44.31 ATOM 731 OD1 ASP 47 18.219 -30.872 34.878 1.00 42.01 ATOM 732 OD2 ASP 47 17.355 -29.194 33.753 1.00 51.53 ATOM 733 C ASP 47 14.523 -32.690 33.003 1.00 31.21 ATOM 734 O ASP 47 14.060 -33.673 33.580 1.00 12.03 ATOM 735 N GLY 48 13.831 -31.978 32.119 1.00 71.24 ATOM 736 HN GLY 48 14.235 -31.192 31.689 1.00 39.96 ATOM 737 CA GLY 48 12.464 -32.335 31.785 1.00 64.30 ATOM 738 HA1 GLY 48 12.325 -33.402 31.866 1.00 39.96 ATOM 739 HA2 GLY 48 12.286 -32.047 30.761 1.00 21.23 ATOM 740 C GLY 48 11.450 -31.623 32.657 1.00 55.55 ATOM 741 O GLY 48 10.272 -31.537 32.308 1.00 40.23 ATOM 742 N VAL 49 11.905 -31.111 33.795 1.00 5.44 ATOM 743 HN VAL 49 12.848 -31.176 34.012 1.00 39.96 ATOM 744 CA VAL 49 11.029 -30.402 34.720 1.00 32.02 ATOM 745 HA VAL 49 10.332 -31.119 35.135 1.00 3.45 ATOM 746 CB VAL 49 11.826 -29.770 35.877 1.00 60.42 ATOM 747 HB VAL 49 12.522 -29.052 35.464 1.00 63.34 ATOM 748 CG1 VAL 49 10.895 -29.035 36.829 1.00 73.43 ATOM 749 HG11 VAL 49 10.081 -29.684 37.122 1.00 3.44 ATOM 750 HG12 VAL 49 10.498 -28.154 36.348 1.00 73.24 ATOM 751 HG13 VAL 49 11.442 -28.731 37.712 1.00 61.33 ATOM 752 CG2 VAL 49 12.626 -30.833 36.615 1.00 72.21 ATOM 753 HG21 VAL 49 13.413 -31.204 35.979 1.00 44.14 ATOM 754 HG22 VAL 49 11.976 -31.644 36.886 1.00 34.51 ATOM 755 HG23 VAL 49 13.064 -30.410 37.510 1.00 60.01 ATOM 756 C VAL 49 10.242 -29.310 34.004 1.00 32.21 ATOM 757 O VAL 49 9.120 -28.982 34.392 1.00 64.32 ATOM 758 N VAL 50 10.837 -28.750 32.956 1.00 70.13 ATOM 759 HN VAL 50 11.752 -29.013 32.708 1.00 39.96 ATOM 760 CA VAL 50 10.191 -27.696 32.183 1.00 3.52 ATOM 761 HA VAL 50 9.650 -27.054 32.862 1.00 32.32 ATOM 762 CB VAL 50 11.226 -26.835 31.434 1.00 72.12 ATOM 763 HB VAL 50 11.766 -27.469 30.743 1.00 22.01 ATOM 764 CG1 VAL 50 10.533 -25.743 30.634 1.00 51.33 ATOM 765 HG11 VAL 50 11.282 -25.140 30.150 1.00 3.50 ATOM 766 HG12 VAL 50 9.943 -25.122 31.293 1.00 54.33 ATOM 767 HG13 VAL 50 9.895 -26.177 29.880 1.00 4.20 ATOM 768 CG2 VAL 50 12.229 -26.238 32.410 1.00 73.15 ATOM 769 HG21 VAL 50 11.713 -25.616 33.128 1.00 51.52 ATOM 770 HG22 VAL 50 12.949 -25.639 31.869 1.00 23.54 ATOM 771 HG23 VAL 50 12.748 -27.031 32.929 1.00 52.41 ATOM 772 C VAL 50 9.205 -28.277 31.176 1.00 22.04 ATOM 773 O VAL 50 8.148 -27.699 30.921 1.00 10.21 ATOM 774 N LEU 51 9.557 -29.425 30.607 1.00 2.51 ATOM 775 HN LEU 51 10.426 -29.832 30.829 1.00 39.96 ATOM 776 CA LEU 51 8.703 -30.086 29.627 1.00 34.34 ATOM 777 HA LEU 51 8.611 -29.432 28.771 1.00 34.23 ATOM 778 CB LEU 51 9.328 -31.412 29.189 1.00 51.33 ATOM 779 HB1 LEU 51 8.548 -32.091 28.908 1.00 39.96 ATOM 780 HB2 LEU 51 9.835 -31.837 30.040 1.00 31.22 ATOM 781 CG LEU 51 10.324 -31.333 28.031 1.00 22.34 ATOM 782 HG LEU 51 11.018 -30.524 28.213 1.00 74.21 ATOM 783 CD1 LEU 51 11.126 -32.621 27.929 1.00 23.35 ATOM 784 HD11 LEU 51 11.816 -32.544 27.106 1.00 24.20 ATOM 785 HD12 LEU 51 10.459 -33.455 27.760 1.00 4.04 ATOM 786 HD13 LEU 51 11.677 -32.781 28.842 1.00 54.44 ATOM 787 CD2 LEU 51 9.601 -31.048 26.723 1.00 33.52 ATOM 788 HD21 LEU 51 10.217 -30.421 26.108 1.00 60.44 ATOM 789 HD22 LEU 51 8.661 -30.544 26.903 1.00 5.43 ATOM 790 HD23 LEU 51 9.412 -31.969 26.196 1.00 13.33 ATOM 791 C LEU 51 7.310 -30.332 30.198 1.00 75.33 ATOM 792 O LEU 51 6.307 -29.922 29.612 1.00 52.00 ATOM 793 N CYS 52 7.255 -31.002 31.344 1.00 40.23 ATOM 794 HN CYS 52 8.095 -31.309 31.764 1.00 39.96 ATOM 795 CA CYS 52 5.984 -31.301 31.995 1.00 64.14 ATOM 796 HA CYS 52 5.437 -31.982 31.357 1.00 62.21 ATOM 797 CB CYS 52 6.227 -31.953 33.357 1.00 74.24 ATOM 798 HB1 CYS 52 5.411 -31.717 34.030 1.00 39.96 ATOM 799 HB2 CYS 52 7.146 -31.574 33.779 1.00 53.45 ATOM 800 SG CYS 52 6.360 -33.755 33.299 1.00 62.51 ATOM 801 HG CYS 52 6.902 -34.088 32.137 1.00 53.41 ATOM 802 C CYS 52 5.149 -30.036 32.164 1.00 21.40 ATOM 803 O CYS 52 3.963 -30.015 31.835 1.00 32.44 ATOM 804 N ARG 53 5.776 -28.984 32.680 1.00 32.34 ATOM 805 HN ARG 53 6.728 -29.063 32.930 1.00 39.96 ATOM 806 CA ARG 53 5.089 -27.716 32.896 1.00 24.34 ATOM 807 HA ARG 53 4.346 -27.866 33.667 1.00 40.43 ATOM 808 CB ARG 53 6.081 -26.647 33.358 1.00 23.35 ATOM 809 HB1 ARG 53 5.581 -25.686 33.387 1.00 39.96 ATOM 810 HB2 ARG 53 6.889 -26.597 32.646 1.00 21.11 ATOM 811 CG ARG 53 6.662 -26.911 34.738 1.00 11.23 ATOM 812 HG1 ARG 53 7.020 -27.926 34.788 1.00 39.96 ATOM 813 HG2 ARG 53 5.885 -26.769 35.474 1.00 21.42 ATOM 814 CD ARG 53 7.809 -25.963 35.050 1.00 4.01 ATOM 815 HD1 ARG 53 7.444 -24.948 34.955 1.00 39.96 ATOM 816 HD2 ARG 53 8.603 -26.126 34.344 1.00 14.15 ATOM 817 NE ARG 53 8.329 -26.158 36.401 1.00 61.41 ATOM 818 HE ARG 53 8.072 -26.981 36.880 1.00 24.21 ATOM 819 CZ ARG 53 9.130 -25.293 37.012 1.00 24.34 ATOM 820 NH1 ARG 53 9.502 -24.179 36.397 1.00 75.11 ATOM 821 HH11 ARG 53 9.197 -23.965 35.472 1.00 42.15 ATOM 822 HH12 ARG 53 10.104 -23.532 36.869 1.00 0.31 ATOM 823 NH2 ARG 53 9.562 -25.542 38.242 1.00 12.44 ATOM 824 HH21 ARG 53 9.285 -26.382 38.713 1.00 71.44 ATOM 825 HH22 ARG 53 10.167 -24.891 38.705 1.00 72.14 ATOM 826 C ARG 53 4.385 -27.256 31.624 1.00 50.34 ATOM 827 O ARG 53 3.210 -26.886 31.650 1.00 22.23 ATOM 828 N LEU 54 5.110 -27.280 30.511 1.00 50.22 ATOM 829 HN LEU 54 6.051 -27.578 30.553 1.00 39.96 ATOM 830 CA LEU 54 4.555 -26.864 29.227 1.00 22.31 ATOM 831 HA LEU 54 4.332 -25.814 29.275 1.00 39.96 ATOM 832 CB LEU 54 5.571 -27.104 28.109 1.00 40.33 ATOM 833 HB1 LEU 54 6.021 -28.069 28.269 1.00 39.96 ATOM 834 HB2 LEU 54 6.346 -26.354 28.195 1.00 72.40 ATOM 835 CG LEU 54 5.020 -27.069 26.683 1.00 41.42 ATOM 836 HG LEU 54 4.218 -27.781 26.587 1.00 23.35 ATOM 837 CD1 LEU 54 4.466 -25.690 26.359 1.00 74.15 ATOM 838 HD11 LEU 54 5.246 -24.966 26.500 1.00 74.44 ATOM 839 HD12 LEU 54 3.641 -25.465 27.020 1.00 31.24 ATOM 840 HD13 LEU 54 4.123 -25.660 25.333 1.00 54.52 ATOM 841 CD2 LEU 54 6.100 -27.460 25.684 1.00 13.42 ATOM 842 HD21 LEU 54 5.741 -27.319 24.684 1.00 54.21 ATOM 843 HD22 LEU 54 6.360 -28.498 25.826 1.00 2.21 ATOM 844 HD23 LEU 54 6.977 -26.849 25.837 1.00 61.22 ATOM 845 C LEU 54 3.262 -27.615 28.924 1.00 1.52 ATOM 846 O LEU 54 2.275 -27.021 28.487 1.00 21.13 ATOM 847 N LEU 55 3.273 -28.922 29.161 1.00 45.41 ATOM 848 HN LEU 55 4.096 -29.346 29.504 1.00 39.96 ATOM 849 CA LEU 55 2.101 -29.754 28.916 1.00 54.22 ATOM 850 HA LEU 55 1.812 -29.624 27.882 1.00 34.32 ATOM 851 CB LEU 55 2.436 -31.226 29.159 1.00 33.30 ATOM 852 HB1 LEU 55 2.762 -31.334 30.183 1.00 39.96 ATOM 853 HB2 LEU 55 3.262 -31.483 28.512 1.00 10.15 ATOM 854 CG LEU 55 1.303 -32.223 28.909 1.00 41.32 ATOM 855 HG LEU 55 0.496 -32.025 29.600 1.00 65.34 ATOM 856 CD1 LEU 55 0.759 -32.069 27.497 1.00 11.31 ATOM 857 HD11 LEU 55 0.033 -31.273 27.484 1.00 1.53 ATOM 858 HD12 LEU 55 0.289 -32.985 27.163 1.00 50.55 ATOM 859 HD13 LEU 55 1.561 -31.814 26.837 1.00 42.23 ATOM 860 CD2 LEU 55 1.784 -33.647 29.145 1.00 61.15 ATOM 861 HD21 LEU 55 2.768 -33.648 29.591 1.00 11.33 ATOM 862 HD22 LEU 55 1.830 -34.189 28.211 1.00 53.11 ATOM 863 HD23 LEU 55 1.095 -34.147 29.810 1.00 74.32 ATOM 864 C LEU 55 0.937 -29.331 29.807 1.00 22.33 ATOM 865 O LEU 55 -0.227 -29.507 29.449 1.00 43.42 ATOM 866 N GLU 56 1.261 -28.772 30.969 1.00 22.20 ATOM 867 HN GLU 56 2.201 -28.686 31.220 1.00 39.96 ATOM 868 CA GLU 56 0.242 -28.323 31.911 1.00 62.44 ATOM 869 HA GLU 56 -0.555 -29.060 31.928 1.00 61.24 ATOM 870 CB GLU 56 0.836 -28.190 33.314 1.00 4.22 ATOM 871 HB1 GLU 56 0.401 -27.335 33.820 1.00 39.96 ATOM 872 HB2 GLU 56 1.899 -28.029 33.239 1.00 34.33 ATOM 873 CG GLU 56 0.624 -29.417 34.184 1.00 22.24 ATOM 874 HG1 GLU 56 1.404 -29.444 34.931 1.00 39.96 ATOM 875 HG2 GLU 56 0.688 -30.308 33.574 1.00 43.32 ATOM 876 CD GLU 56 -0.717 -29.406 34.893 1.00 44.55 ATOM 877 OE1 GLU 56 -1.439 -30.421 34.814 1.00 62.14 ATOM 878 OE2 GLU 56 -1.043 -28.380 35.526 1.00 13.11 ATOM 879 C GLU 56 -0.356 -26.990 31.471 1.00 62.25 ATOM 880 O GLU 56 -1.507 -26.682 31.779 1.00 30.14 ATOM 881 N ARG 57 0.435 -26.203 30.748 1.00 31.51 ATOM 882 HN ARG 57 1.354 -26.487 30.545 1.00 39.96 ATOM 883 CA ARG 57 -0.015 -24.903 30.267 1.00 42.21 ATOM 884 HA ARG 57 -0.392 -24.349 31.113 1.00 2.03 ATOM 885 CB ARG 57 1.146 -24.145 29.621 1.00 64.05 ATOM 886 HB1 ARG 57 0.762 -23.445 28.886 1.00 39.96 ATOM 887 HB2 ARG 57 1.792 -24.842 29.120 1.00 54.11 ATOM 888 CG ARG 57 1.987 -23.358 30.612 1.00 23.13 ATOM 889 HG1 ARG 57 2.815 -22.914 30.082 1.00 39.96 ATOM 890 HG2 ARG 57 2.360 -24.029 31.372 1.00 52.33 ATOM 891 CD ARG 57 1.178 -22.255 31.277 1.00 44.04 ATOM 892 HD1 ARG 57 0.556 -22.691 32.044 1.00 39.96 ATOM 893 HD2 ARG 57 0.551 -21.786 30.528 1.00 72.12 ATOM 894 NE ARG 57 2.034 -21.240 31.886 1.00 32.44 ATOM 895 HE ARG 57 2.981 -21.467 32.040 1.00 74.34 ATOM 896 CZ ARG 57 1.604 -20.036 32.246 1.00 51.04 ATOM 897 NH1 ARG 57 0.336 -19.698 32.057 1.00 12.35 ATOM 898 HH11 ARG 57 -0.319 -20.329 31.650 1.00 40.31 ATOM 899 HH12 ARG 57 0.023 -18.786 32.329 1.00 43.50 ATOM 900 NH2 ARG 57 2.443 -19.167 32.795 1.00 61.12 ATOM 901 HH21 ARG 57 3.403 -19.416 32.940 1.00 13.44 ATOM 902 HH22 ARG 57 2.121 -18.258 33.067 1.00 73.14 ATOM 903 C ARG 57 -1.155 -25.058 29.265 1.00 31.30 ATOM 904 O ARG 57 -2.182 -24.385 29.367 1.00 22.32 ATOM 905 N LEU 58 -0.968 -25.949 28.297 1.00 0.22 ATOM 906 HN LEU 58 -0.139 -26.483 28.284 1.00 39.96 ATOM 907 CA LEU 58 -1.981 -26.193 27.276 1.00 44.12 ATOM 908 HA LEU 58 -2.514 -25.269 27.085 1.00 34.13 ATOM 909 CB LEU 58 -1.320 -26.647 25.973 1.00 41.41 ATOM 910 HB1 LEU 58 -2.036 -26.526 25.172 1.00 39.96 ATOM 911 HB2 LEU 58 -1.089 -27.705 26.062 1.00 50.14 ATOM 912 CG LEU 58 -0.032 -25.920 25.585 1.00 40.52 ATOM 913 HG LEU 58 0.664 -25.948 26.407 1.00 73.51 ATOM 914 CD1 LEU 58 0.635 -26.608 24.404 1.00 74.11 ATOM 915 HD11 LEU 58 1.700 -26.435 24.453 1.00 14.40 ATOM 916 HD12 LEU 58 0.259 -26.201 23.479 1.00 3.33 ATOM 917 HD13 LEU 58 0.449 -27.673 24.432 1.00 52.15 ATOM 918 CD2 LEU 58 -0.320 -24.461 25.261 1.00 42.21 ATOM 919 HD21 LEU 58 0.487 -24.034 24.679 1.00 23.34 ATOM 920 HD22 LEU 58 -0.422 -23.908 26.183 1.00 51.34 ATOM 921 HD23 LEU 58 -1.239 -24.396 24.710 1.00 34.42 ATOM 922 C LEU 58 -2.983 -27.243 27.743 1.00 15.22 ATOM 923 O LEU 58 -4.190 -27.100 27.538 1.00 45.14 ATOM 924 N LEU 59 -2.478 -28.296 28.375 1.00 62.53 ATOM 925 HN LEU 59 -1.506 -28.371 28.511 1.00 39.96 ATOM 926 CA LEU 59 -3.329 -29.370 28.874 1.00 35.42 ATOM 927 HA LEU 59 -4.354 -29.164 28.620 1.00 73.51 ATOM 928 CB LEU 59 -2.932 -30.702 28.236 1.00 64.32 ATOM 929 HB1 LEU 59 -3.386 -31.505 28.806 1.00 39.96 ATOM 930 HB2 LEU 59 -1.864 -30.803 28.312 1.00 13.32 ATOM 931 CG LEU 59 -3.329 -30.890 26.771 1.00 1.32 ATOM 932 HG LEU 59 -2.874 -30.109 26.179 1.00 24.24 ATOM 933 CD1 LEU 59 -2.827 -32.227 26.249 1.00 44.22 ATOM 934 HD11 LEU 59 -3.269 -33.032 26.820 1.00 32.13 ATOM 935 HD12 LEU 59 -1.751 -32.271 26.341 1.00 22.10 ATOM 936 HD13 LEU 59 -3.098 -32.335 25.208 1.00 41.42 ATOM 937 CD2 LEU 59 -4.838 -30.785 26.610 1.00 35.34 ATOM 938 HD21 LEU 59 -5.328 -31.490 27.268 1.00 60.23 ATOM 939 HD22 LEU 59 -5.111 -31.005 25.586 1.00 53.25 ATOM 940 HD23 LEU 59 -5.162 -29.785 26.849 1.00 64.15 ATOM 941 C LEU 59 -3.240 -29.475 30.393 1.00 3.33 ATOM 942 O LEU 59 -2.639 -30.399 30.942 1.00 11.43 ATOM 943 N PRO 60 -3.852 -28.506 31.090 1.00 34.35 ATOM 944 CA PRO 60 -3.858 -28.468 32.556 1.00 73.51 ATOM 945 HA PRO 60 -2.852 -28.516 32.953 1.00 13.22 ATOM 946 CB PRO 60 -4.462 -27.098 32.873 1.00 43.11 ATOM 947 HB1 PRO 60 -3.667 -26.380 33.002 1.00 39.96 ATOM 948 HB2 PRO 60 -5.059 -27.139 33.776 1.00 62.02 ATOM 949 CG PRO 60 -5.293 -26.765 31.682 1.00 64.20 ATOM 950 HG1 PRO 60 -5.358 -25.693 31.567 1.00 39.96 ATOM 951 HG2 PRO 60 -6.279 -27.192 31.791 1.00 50.31 ATOM 952 CD PRO 60 -4.587 -27.374 30.502 1.00 72.12 ATOM 953 HD1 PRO 60 -3.910 -26.654 30.078 1.00 39.96 ATOM 954 HD2 PRO 60 -5.306 -27.704 29.769 1.00 15.32 ATOM 955 C PRO 60 -4.711 -29.579 33.161 1.00 4.31 ATOM 956 O PRO 60 -5.916 -29.649 32.924 1.00 44.23 ATOM 957 N GLY 61 -4.076 -30.445 33.945 1.00 31.21 ATOM 958 HN GLY 61 -3.121 -30.336 34.121 1.00 39.96 ATOM 959 CA GLY 61 -4.792 -31.540 34.572 1.00 35.44 ATOM 960 HA1 GLY 61 -5.863 -31.407 34.474 1.00 39.96 ATOM 961 HA2 GLY 61 -4.547 -31.546 35.624 1.00 0.24 ATOM 962 C GLY 61 -4.416 -32.888 33.990 1.00 23.45 ATOM 963 O GLY 61 -5.155 -33.863 34.131 1.00 21.25 ATOM 964 N THR 62 -3.262 -32.946 33.332 1.00 11.41 ATOM 965 HN THR 62 -2.701 -32.149 33.242 1.00 39.96 ATOM 966 CA THR 62 -2.790 -34.183 32.724 1.00 43.00 ATOM 967 HA THR 62 -3.595 -34.912 32.729 1.00 12.30 ATOM 968 CB THR 62 -2.362 -33.962 31.261 1.00 72.33 ATOM 969 HB THR 62 -1.451 -33.377 31.242 1.00 44.15 ATOM 970 OG1 THR 62 -3.381 -33.244 30.556 1.00 44.52 ATOM 971 HG1 THR 62 -4.217 -33.730 30.565 1.00 42.21 ATOM 972 CG2 THR 62 -2.100 -35.291 30.567 1.00 3.34 ATOM 973 HG21 THR 62 -1.896 -35.112 29.522 1.00 30.43 ATOM 974 HG22 THR 62 -2.969 -35.929 30.657 1.00 2.34 ATOM 975 HG23 THR 62 -1.248 -35.777 31.017 1.00 5.45 ATOM 976 C THR 62 -1.615 -34.765 33.502 1.00 13.34 ATOM 977 O THR 62 -1.493 -35.982 33.642 1.00 35.13 ATOM 978 N ILE 63 -0.754 -33.888 34.007 1.00 21.14 ATOM 979 HN ILE 63 -0.893 -32.926 33.867 1.00 39.96 ATOM 980 CA ILE 63 0.410 -34.316 34.773 1.00 30.05 ATOM 981 HA ILE 63 0.820 -35.204 34.298 1.00 43.15 ATOM 982 CB ILE 63 1.506 -33.234 34.784 1.00 12.12 ATOM 983 HB ILE 63 1.136 -32.373 35.325 1.00 13.34 ATOM 984 CG1 ILE 63 1.846 -32.808 33.355 1.00 45.13 ATOM 985 HG11 ILE 63 2.569 -32.005 33.392 1.00 39.96 ATOM 986 HG12 ILE 63 0.959 -32.452 32.854 1.00 72.25 ATOM 987 CG2 ILE 63 2.747 -33.744 35.501 1.00 61.23 ATOM 988 HG21 ILE 63 2.550 -33.812 36.560 1.00 15.11 ATOM 989 HG22 ILE 63 3.571 -33.060 35.342 1.00 72.11 ATOM 990 HG23 ILE 63 3.019 -34.721 35.127 1.00 53.30 ATOM 991 CD1 ILE 63 2.440 -33.920 32.518 1.00 0.31 ATOM 992 HD11 ILE 63 2.824 -33.496 31.611 1.00 3.25 ATOM 993 HD12 ILE 63 1.676 -34.644 32.281 1.00 52.31 ATOM 994 HD13 ILE 63 3.246 -34.407 33.043 1.00 71.34 ATOM 995 C ILE 63 0.029 -34.652 36.211 1.00 14.33 ATOM 996 O ILE 63 -0.189 -33.759 37.030 1.00 20.40 ATOM 997 N GLU 64 -0.049 -35.945 36.511 1.00 45.41 ATOM 998 HN GLU 64 0.144 -36.616 35.813 1.00 39.96 ATOM 999 CA GLU 64 -0.403 -36.398 37.851 1.00 44.31 ATOM 1000 HA GLU 64 -1.282 -35.854 38.174 1.00 33.30 ATOM 1001 CB GLU 64 -0.731 -37.892 37.838 1.00 71.12 ATOM 1002 HB1 GLU 64 0.114 -38.431 37.434 1.00 39.96 ATOM 1003 HB2 GLU 64 -1.586 -38.047 37.194 1.00 4.11 ATOM 1004 CG GLU 64 -1.046 -38.458 39.212 1.00 20.13 ATOM 1005 HG1 GLU 64 -1.727 -37.791 39.724 1.00 39.96 ATOM 1006 HG2 GLU 64 -0.129 -38.537 39.776 1.00 54.34 ATOM 1007 CD GLU 64 -1.683 -39.833 39.145 1.00 2.44 ATOM 1008 OE1 GLU 64 -0.937 -40.828 39.038 1.00 21.20 ATOM 1009 OE2 GLU 64 -2.928 -39.912 39.201 1.00 70.14 ATOM 1010 C GLU 64 0.731 -36.123 38.835 1.00 32.52 ATOM 1011 O GLU 64 0.510 -35.587 39.921 1.00 53.41 ATOM 1012 N LYS 65 1.946 -36.497 38.448 1.00 51.40 ATOM 1013 HN LYS 65 2.063 -36.944 37.576 1.00 39.96 ATOM 1014 CA LYS 65 3.116 -36.291 39.294 1.00 74.42 ATOM 1015 HA LYS 65 2.925 -35.453 39.956 1.00 30.01 ATOM 1016 CB LYS 65 3.380 -37.535 40.145 1.00 35.51 ATOM 1017 HB1 LYS 65 3.369 -38.404 39.502 1.00 39.96 ATOM 1018 HB2 LYS 65 2.579 -37.626 40.867 1.00 32.13 ATOM 1019 CG LYS 65 4.711 -37.502 40.875 1.00 64.05 ATOM 1020 HG1 LYS 65 4.984 -36.477 41.093 1.00 39.96 ATOM 1021 HG2 LYS 65 5.463 -37.946 40.238 1.00 14.44 ATOM 1022 CD LYS 65 4.649 -38.268 42.185 1.00 32.32 ATOM 1023 HD1 LYS 65 4.177 -39.229 42.018 1.00 39.96 ATOM 1024 HD2 LYS 65 4.067 -37.699 42.894 1.00 53.22 ATOM 1025 CE LYS 65 6.037 -38.503 42.761 1.00 41.53 ATOM 1026 HE1 LYS 65 6.659 -37.634 42.584 1.00 39.96 ATOM 1027 HE2 LYS 65 6.467 -39.361 42.270 1.00 70.31 ATOM 1028 NZ LYS 65 5.993 -38.770 44.225 1.00 75.21 ATOM 1029 HZ1 LYS 65 5.575 -37.960 44.729 1.00 75.44 ATOM 1030 HZ2 LYS 65 6.956 -38.925 44.586 1.00 44.34 ATOM 1031 HZ3 LYS 65 5.423 -39.619 44.421 1.00 33.32 ATOM 1032 C LYS 65 4.346 -35.968 38.452 1.00 71.20 ATOM 1033 O LYS 65 4.529 -36.518 37.366 1.00 24.30 ATOM 1034 N VAL 66 5.187 -35.074 38.961 1.00 42.53 ATOM 1035 HN VAL 66 4.985 -34.654 39.830 1.00 39.96 ATOM 1036 CA VAL 66 6.402 -34.679 38.257 1.00 74.33 ATOM 1037 HA VAL 66 6.608 -35.409 37.479 1.00 31.14 ATOM 1038 CB VAL 66 6.244 -33.296 37.597 1.00 22.15 ATOM 1039 HB VAL 66 5.271 -33.248 37.130 1.00 72.43 ATOM 1040 CG1 VAL 66 6.324 -32.194 38.643 1.00 74.11 ATOM 1041 HG11 VAL 66 7.353 -31.928 38.826 1.00 53.11 ATOM 1042 HG12 VAL 66 5.864 -32.517 39.569 1.00 64.35 ATOM 1043 HG13 VAL 66 5.798 -31.325 38.276 1.00 31.15 ATOM 1044 CG2 VAL 66 7.299 -33.097 36.520 1.00 41.03 ATOM 1045 HG21 VAL 66 7.416 -34.002 35.944 1.00 73.03 ATOM 1046 HG22 VAL 66 8.248 -32.837 36.970 1.00 61.02 ATOM 1047 HG23 VAL 66 6.990 -32.298 35.872 1.00 15.14 ATOM 1048 C VAL 66 7.598 -34.647 39.201 1.00 62.03 ATOM 1049 O VAL 66 7.439 -34.582 40.420 1.00 72.31 ATOM 1050 N TYR 67 8.797 -34.692 38.629 1.00 35.15 ATOM 1051 HN TYR 67 8.874 -34.785 37.655 1.00 39.96 ATOM 1052 CA TYR 67 10.021 -34.670 39.420 1.00 4.01 ATOM 1053 HA TYR 67 9.779 -34.775 40.463 1.00 12.41 ATOM 1054 CB TYR 67 10.925 -35.842 39.033 1.00 53.05 ATOM 1055 HB1 TYR 67 11.838 -35.795 39.614 1.00 39.96 ATOM 1056 HB2 TYR 67 11.172 -35.761 37.982 1.00 63.32 ATOM 1057 CG TYR 67 10.297 -37.196 39.275 1.00 60.13 ATOM 1058 CD1 TYR 67 10.509 -38.250 38.394 1.00 53.50 ATOM 1059 HD1 TYR 67 11.128 -38.090 37.535 1.00 71.12 ATOM 1060 CD2 TYR 67 9.493 -37.422 40.385 1.00 32.11 ATOM 1061 HD2 TYR 67 9.315 -36.628 41.092 1.00 51.35 ATOM 1062 CE1 TYR 67 9.937 -39.488 38.611 1.00 15.00 ATOM 1063 HE1 TYR 67 10.115 -40.297 37.926 1.00 25.45 ATOM 1064 CE2 TYR 67 8.918 -38.658 40.611 1.00 53.31 ATOM 1065 HE2 TYR 67 8.311 -38.814 41.476 1.00 63.23 ATOM 1066 CZ TYR 67 9.142 -39.687 39.721 1.00 61.22 ATOM 1067 OH TYR 67 8.571 -40.920 39.941 1.00 5.23 ATOM 1068 HH TYR 67 9.243 -41.545 40.230 1.00 14.51 ATOM 1069 C TYR 67 10.768 -33.353 39.231 1.00 65.34 ATOM 1070 O TYR 67 11.711 -33.252 38.445 1.00 1.01 ATOM 1071 N PRO 68 10.338 -32.319 39.968 1.00 4.13 ATOM 1072 CA PRO 68 10.952 -30.989 39.901 1.00 22.42 ATOM 1073 HA PRO 68 10.995 -30.629 38.893 1.00 0.51 ATOM 1074 CB PRO 68 10.000 -30.117 40.723 1.00 74.14 ATOM 1075 HB1 PRO 68 9.279 -29.658 40.064 1.00 39.96 ATOM 1076 HB2 PRO 68 10.544 -29.345 41.254 1.00 14.14 ATOM 1077 CG PRO 68 9.336 -31.063 41.663 1.00 11.32 ATOM 1078 HG1 PRO 68 8.356 -30.693 41.925 1.00 39.96 ATOM 1079 HG2 PRO 68 9.941 -31.186 42.549 1.00 53.03 ATOM 1080 CD PRO 68 9.220 -32.368 40.925 1.00 2.22 ATOM 1081 HD1 PRO 68 8.285 -32.410 40.430 1.00 39.96 ATOM 1082 HD2 PRO 68 9.325 -33.189 41.616 1.00 51.12 ATOM 1083 C PRO 68 12.352 -30.966 40.506 1.00 13.34 ATOM 1084 O PRO 68 13.148 -30.074 40.215 1.00 62.41 ATOM 1085 N GLU 69 12.644 -31.951 41.350 1.00 74.24 ATOM 1086 HN GLU 69 11.965 -32.620 41.586 1.00 39.96 ATOM 1087 CA GLU 69 13.948 -32.042 41.995 1.00 12.35 ATOM 1088 HA GLU 69 14.660 -31.430 41.456 1.00 22.35 ATOM 1089 CB GLU 69 13.870 -31.512 43.429 1.00 52.43 ATOM 1090 HB1 GLU 69 14.873 -31.461 43.832 1.00 39.96 ATOM 1091 HB2 GLU 69 13.282 -32.195 44.030 1.00 13.51 ATOM 1092 CG GLU 69 13.238 -30.134 43.534 1.00 13.15 ATOM 1093 HG1 GLU 69 12.189 -30.214 43.288 1.00 39.96 ATOM 1094 HG2 GLU 69 13.722 -29.470 42.831 1.00 4.04 ATOM 1095 CD GLU 69 13.365 -29.539 44.923 1.00 14.14 ATOM 1096 OE1 GLU 69 14.228 -28.657 45.114 1.00 42.14 ATOM 1097 OE2 GLU 69 12.601 -29.955 45.820 1.00 43.12 ATOM 1098 C GLU 69 14.454 -33.481 42.001 1.00 75.50 ATOM 1099 O GLU 69 14.478 -34.154 43.032 1.00 12.42 ATOM 1100 N PRO 70 14.867 -33.967 40.821 1.00 32.41 ATOM 1101 CA PRO 70 15.379 -35.332 40.663 1.00 44.44 ATOM 1102 HA PRO 70 14.679 -36.062 41.048 1.00 14.44 ATOM 1103 CB PRO 70 15.500 -35.491 39.145 1.00 32.30 ATOM 1104 HB1 PRO 70 14.597 -35.942 38.761 1.00 39.96 ATOM 1105 HB2 PRO 70 16.343 -36.117 38.903 1.00 21.41 ATOM 1106 CG PRO 70 15.664 -34.103 38.630 1.00 63.10 ATOM 1107 HG1 PRO 70 15.280 -34.037 37.623 1.00 39.96 ATOM 1108 HG2 PRO 70 16.707 -33.823 38.654 1.00 55.42 ATOM 1109 CD PRO 70 14.866 -33.222 39.551 1.00 71.41 ATOM 1110 HD1 PRO 70 13.870 -33.093 39.180 1.00 39.96 ATOM 1111 HD2 PRO 70 15.356 -32.267 39.659 1.00 3.45 ATOM 1112 C PRO 70 16.739 -35.521 41.328 1.00 75.14 ATOM 1113 O PRO 70 17.556 -34.601 41.364 1.00 70.23 ATOM 1114 N ARG 71 16.973 -36.719 41.852 1.00 25.24 ATOM 1115 HN ARG 71 16.270 -37.407 41.823 1.00 39.96 ATOM 1116 CA ARG 71 18.234 -37.028 42.517 1.00 72.51 ATOM 1117 HA ARG 71 18.861 -36.143 42.531 1.00 54.55 ATOM 1118 CB ARG 71 17.979 -37.477 43.957 1.00 11.21 ATOM 1119 HB1 ARG 71 18.783 -38.129 44.280 1.00 39.96 ATOM 1120 HB2 ARG 71 17.051 -38.031 44.000 1.00 61.45 ATOM 1121 CG ARG 71 17.901 -36.327 44.948 1.00 15.10 ATOM 1122 HG1 ARG 71 18.801 -35.736 44.873 1.00 39.96 ATOM 1123 HG2 ARG 71 17.819 -36.733 45.945 1.00 14.41 ATOM 1124 CD ARG 71 16.695 -35.440 44.678 1.00 21.11 ATOM 1125 HD1 ARG 71 15.827 -36.063 44.503 1.00 39.96 ATOM 1126 HD2 ARG 71 16.885 -34.846 43.804 1.00 63.41 ATOM 1127 NE ARG 71 16.405 -34.554 45.802 1.00 42.41 ATOM 1128 HE ARG 71 15.645 -34.791 46.378 1.00 34.23 ATOM 1129 CZ ARG 71 17.109 -33.461 46.077 1.00 61.13 ATOM 1130 NH1 ARG 71 18.139 -33.122 45.313 1.00 75.21 ATOM 1131 HH11 ARG 71 18.409 -33.664 44.524 1.00 55.33 ATOM 1132 HH12 ARG 71 18.663 -32.296 45.532 1.00 23.43 ATOM 1133 NH2 ARG 71 16.783 -32.705 47.117 1.00 5.22 ATOM 1134 HH21 ARG 71 16.006 -32.955 47.698 1.00 11.01 ATOM 1135 HH22 ARG 71 17.313 -31.880 47.327 1.00 32.12 ATOM 1136 C ARG 71 18.994 -38.115 41.762 1.00 43.42 ATOM 1137 O ARG 71 20.212 -38.238 41.891 1.00 43.41 ATOM 1138 N SER 72 18.267 -38.900 40.974 1.00 61.40 ATOM 1139 HN SER 72 17.299 -38.785 40.907 1.00 39.96 ATOM 1140 CA SER 72 18.872 -39.979 40.202 1.00 62.05 ATOM 1141 HA SER 72 19.943 -39.980 40.362 1.00 55.35 ATOM 1142 CB SER 72 18.315 -41.331 40.651 1.00 61.22 ATOM 1143 HB1 SER 72 17.437 -41.590 40.072 1.00 39.96 ATOM 1144 HB2 SER 72 18.043 -41.278 41.697 1.00 23.25 ATOM 1145 OG SER 72 19.281 -42.357 40.497 1.00 13.04 ATOM 1146 HG SER 72 19.900 -42.332 41.231 1.00 54.43 ATOM 1147 C SER 72 18.623 -39.784 38.709 1.00 62.21 ATOM 1148 O SER 72 18.009 -38.802 38.295 1.00 52.20 ATOM 1149 N GLU 73 19.106 -40.728 37.907 1.00 74.13 ATOM 1150 HN GLU 73 19.592 -41.495 38.294 1.00 39.96 ATOM 1151 CA GLU 73 18.936 -40.660 36.460 1.00 43.00 ATOM 1152 HA GLU 73 19.049 -39.628 36.148 1.00 2.32 ATOM 1153 CB GLU 73 20.006 -41.499 35.759 1.00 63.41 ATOM 1154 HB1 GLU 73 20.009 -42.489 36.192 1.00 39.96 ATOM 1155 HB2 GLU 73 20.969 -41.037 35.936 1.00 73.44 ATOM 1156 CG GLU 73 19.789 -41.634 34.261 1.00 23.51 ATOM 1157 HG1 GLU 73 19.360 -40.722 33.876 1.00 39.96 ATOM 1158 HG2 GLU 73 19.104 -42.450 34.085 1.00 54.31 ATOM 1159 CD GLU 73 21.075 -41.919 33.509 1.00 73.33 ATOM 1160 OE1 GLU 73 21.992 -42.519 34.107 1.00 44.34 ATOM 1161 OE2 GLU 73 21.162 -41.542 32.321 1.00 22.42 ATOM 1162 C GLU 73 17.547 -41.142 36.051 1.00 23.34 ATOM 1163 O GLU 73 16.886 -40.527 35.215 1.00 63.44 ATOM 1164 N SER 74 17.112 -42.247 36.648 1.00 32.31 ATOM 1165 HN SER 74 17.691 -42.705 37.302 1.00 39.96 ATOM 1166 CA SER 74 15.804 -42.816 36.344 1.00 52.42 ATOM 1167 HA SER 74 15.825 -43.174 35.325 1.00 63.31 ATOM 1168 CB SER 74 15.505 -43.991 37.277 1.00 45.04 ATOM 1169 HB1 SER 74 15.069 -43.636 38.203 1.00 39.96 ATOM 1170 HB2 SER 74 16.425 -44.515 37.500 1.00 3.23 ATOM 1171 OG SER 74 14.609 -44.907 36.672 1.00 62.00 ATOM 1172 HG SER 74 15.088 -45.473 36.061 1.00 62.23 ATOM 1173 C SER 74 14.710 -41.760 36.472 1.00 52.24 ATOM 1174 O SER 74 13.798 -41.694 35.648 1.00 34.15 ATOM 1175 N GLU 75 14.810 -40.936 37.510 1.00 14.11 ATOM 1176 HN GLU 75 15.561 -41.036 38.142 1.00 39.96 ATOM 1177 CA GLU 75 13.828 -39.884 37.746 1.00 2.35 ATOM 1178 HA GLU 75 12.837 -40.310 37.634 1.00 2.04 ATOM 1179 CB GLU 75 13.976 -39.327 39.164 1.00 35.33 ATOM 1180 HB1 GLU 75 13.552 -38.331 39.194 1.00 39.96 ATOM 1181 HB2 GLU 75 15.031 -39.258 39.401 1.00 54.42 ATOM 1182 CG GLU 75 13.310 -40.186 40.227 1.00 3.41 ATOM 1183 HG1 GLU 75 14.077 -40.592 40.870 1.00 39.96 ATOM 1184 HG2 GLU 75 12.771 -41.000 39.760 1.00 24.00 ATOM 1185 CD GLU 75 12.335 -39.402 41.084 1.00 4.30 ATOM 1186 OE1 GLU 75 11.354 -40.004 41.568 1.00 62.43 ATOM 1187 OE2 GLU 75 12.553 -38.186 41.271 1.00 60.42 ATOM 1188 C GLU 75 13.982 -38.758 36.728 1.00 12.30 ATOM 1189 O GLU 75 12.995 -38.256 36.188 1.00 61.22 ATOM 1190 N CYS 76 15.225 -38.366 36.472 1.00 53.53 ATOM 1191 HN CYS 76 15.976 -38.795 36.947 1.00 39.96 ATOM 1192 CA CYS 76 15.509 -37.298 35.519 1.00 14.23 ATOM 1193 HA CYS 76 15.065 -36.387 35.900 1.00 14.44 ATOM 1194 CB CYS 76 17.019 -37.111 35.367 1.00 53.54 ATOM 1195 HB1 CYS 76 17.252 -36.796 34.357 1.00 39.96 ATOM 1196 HB2 CYS 76 17.522 -38.047 35.563 1.00 64.33 ATOM 1197 SG CYS 76 17.725 -35.873 36.480 1.00 64.14 ATOM 1198 HG CYS 76 18.217 -34.891 35.739 1.00 44.10 ATOM 1199 C CYS 76 14.881 -37.599 34.162 1.00 24.01 ATOM 1200 O CYS 76 14.374 -36.702 33.488 1.00 42.35 ATOM 1201 N LEU 77 14.921 -38.867 33.766 1.00 14.54 ATOM 1202 HN LEU 77 15.346 -39.545 34.342 1.00 39.96 ATOM 1203 CA LEU 77 14.357 -39.287 32.488 1.00 44.30 ATOM 1204 HA LEU 77 14.658 -38.574 31.729 1.00 25.11 ATOM 1205 CB LEU 77 14.891 -40.668 32.102 1.00 10.54 ATOM 1206 HB1 LEU 77 14.300 -41.054 31.277 1.00 39.96 ATOM 1207 HB2 LEU 77 14.736 -41.319 32.954 1.00 14.32 ATOM 1208 CG LEU 77 16.366 -40.730 31.706 1.00 64.13 ATOM 1209 HG LEU 77 16.943 -40.104 32.373 1.00 43.22 ATOM 1210 CD1 LEU 77 16.893 -42.151 31.832 1.00 62.21 ATOM 1211 HD11 LEU 77 17.942 -42.173 31.571 1.00 13.42 ATOM 1212 HD12 LEU 77 16.344 -42.805 31.168 1.00 72.02 ATOM 1213 HD13 LEU 77 16.773 -42.493 32.851 1.00 72.31 ATOM 1214 CD2 LEU 77 16.560 -40.212 30.288 1.00 11.42 ATOM 1215 HD21 LEU 77 16.331 -39.162 30.269 1.00 51.32 ATOM 1216 HD22 LEU 77 15.892 -40.735 29.616 1.00 11.23 ATOM 1217 HD23 LEU 77 17.573 -40.371 29.966 1.00 44.43 ATOM 1218 C LEU 77 12.834 -39.316 32.548 1.00 75.43 ATOM 1219 O LEU 77 12.158 -39.013 31.565 1.00 52.53 ATOM 1220 N SER 78 12.299 -39.682 33.708 1.00 31.43 ATOM 1221 HN SER 78 12.886 -39.935 34.458 1.00 39.96 ATOM 1222 CA SER 78 10.855 -39.753 33.896 1.00 34.11 ATOM 1223 HA SER 78 10.477 -40.552 33.278 1.00 35.55 ATOM 1224 CB SER 78 10.523 -40.058 35.358 1.00 5.34 ATOM 1225 HB1 SER 78 10.553 -39.152 35.928 1.00 39.96 ATOM 1226 HB2 SER 78 11.247 -40.755 35.756 1.00 2.04 ATOM 1227 OG SER 78 9.235 -40.634 35.480 1.00 15.11 ATOM 1228 HG SER 78 8.567 -39.944 35.444 1.00 3.33 ATOM 1229 C SER 78 10.187 -38.448 33.473 1.00 2.00 ATOM 1230 O SER 78 9.133 -38.454 32.839 1.00 62.54 ATOM 1231 N ASN 79 10.810 -37.329 33.830 1.00 61.42 ATOM 1232 HN ASN 79 11.644 -37.383 34.355 1.00 39.96 ATOM 1233 CA ASN 79 10.277 -36.016 33.488 1.00 1.52 ATOM 1234 HA ASN 79 9.350 -35.883 34.028 1.00 4.24 ATOM 1235 CB ASN 79 11.268 -34.921 33.888 1.00 1.50 ATOM 1236 HB1 ASN 79 11.045 -34.037 33.333 1.00 39.96 ATOM 1237 HB2 ASN 79 12.270 -35.246 33.661 1.00 74.34 ATOM 1238 CG ASN 79 11.180 -34.571 35.361 1.00 2.11 ATOM 1239 OD1 ASN 79 10.103 -34.610 35.957 1.00 64.15 ATOM 1240 ND2 ASN 79 12.316 -34.226 35.956 1.00 63.20 ATOM 1241 HD21 ASN 79 13.147 -34.211 35.429 1.00 42.20 ATOM 1242 HD22 ASN 79 12.281 -34.000 36.907 1.00 3.11 ATOM 1243 C ASN 79 9.974 -35.923 31.996 1.00 42.42 ATOM 1244 O ASN 79 8.938 -35.393 31.595 1.00 53.54 ATOM 1245 N ILE 80 10.885 -36.442 31.179 1.00 11.34 ATOM 1246 HN ILE 80 11.696 -36.858 31.556 1.00 39.96 ATOM 1247 CA ILE 80 10.714 -36.419 29.732 1.00 3.10 ATOM 1248 HA ILE 80 10.410 -35.419 29.439 1.00 4.11 ATOM 1249 CB ILE 80 12.030 -36.753 29.005 1.00 41.23 ATOM 1250 HB ILE 80 12.326 -37.741 29.307 1.00 22.24 ATOM 1251 CG1 ILE 80 13.124 -35.760 29.403 1.00 63.14 ATOM 1252 HG11 ILE 80 13.150 -35.656 30.479 1.00 39.96 ATOM 1253 HG12 ILE 80 12.917 -34.794 28.966 1.00 22.23 ATOM 1254 CG2 ILE 80 11.820 -36.742 27.498 1.00 51.21 ATOM 1255 HG21 ILE 80 11.294 -35.841 27.210 1.00 14.54 ATOM 1256 HG22 ILE 80 11.241 -37.600 27.200 1.00 45.40 ATOM 1257 HG23 ILE 80 12.765 -36.768 26.988 1.00 33.51 ATOM 1258 CD1 ILE 80 14.510 -36.182 28.967 1.00 41.54 ATOM 1259 HD11 ILE 80 15.223 -35.426 29.261 1.00 53.32 ATOM 1260 HD12 ILE 80 14.542 -36.306 27.898 1.00 1.11 ATOM 1261 HD13 ILE 80 14.766 -37.117 29.443 1.00 41.13 ATOM 1262 C ILE 80 9.638 -37.404 29.290 1.00 72.22 ATOM 1263 O ILE 80 8.793 -37.082 28.455 1.00 75.34 ATOM 1264 N ARG 81 9.674 -38.606 29.857 1.00 41.42 ATOM 1265 HN ARG 81 10.383 -38.812 30.512 1.00 39.96 ATOM 1266 CA ARG 81 8.701 -39.638 29.522 1.00 62.44 ATOM 1267 HA ARG 81 8.808 -39.873 28.472 1.00 62.51 ATOM 1268 CB ARG 81 8.958 -40.899 30.350 1.00 53.31 ATOM 1269 HB1 ARG 81 8.042 -41.474 30.425 1.00 39.96 ATOM 1270 HB2 ARG 81 9.257 -40.600 31.346 1.00 3.54 ATOM 1271 CG ARG 81 10.022 -41.809 29.760 1.00 62.22 ATOM 1272 HG1 ARG 81 10.765 -41.212 29.245 1.00 39.96 ATOM 1273 HG2 ARG 81 9.555 -42.483 29.057 1.00 32.34 ATOM 1274 CD ARG 81 10.720 -42.623 30.839 1.00 40.54 ATOM 1275 HD1 ARG 81 10.863 -42.016 31.723 1.00 39.96 ATOM 1276 HD2 ARG 81 11.686 -42.926 30.461 1.00 54.32 ATOM 1277 NE ARG 81 9.965 -43.821 31.195 1.00 42.11 ATOM 1278 HE ARG 81 9.124 -43.998 30.712 1.00 43.21 ATOM 1279 CZ ARG 81 10.351 -44.681 32.131 1.00 72.23 ATOM 1280 NH1 ARG 81 11.476 -44.476 32.801 1.00 22.30 ATOM 1281 HH11 ARG 81 12.051 -43.680 32.619 1.00 20.05 ATOM 1282 HH12 ARG 81 11.760 -45.130 33.506 1.00 13.01 ATOM 1283 NH2 ARG 81 9.610 -45.749 32.398 1.00 52.00 ATOM 1284 HH21 ARG 81 8.758 -45.910 31.895 1.00 54.41 ATOM 1285 HH22 ARG 81 9.899 -46.400 33.103 1.00 12.32 ATOM 1286 C ARG 81 7.278 -39.142 29.759 1.00 51.04 ATOM 1287 O ARG 81 6.411 -39.279 28.896 1.00 45.23 ATOM 1288 N GLU 82 7.045 -38.566 30.934 1.00 24.10 ATOM 1289 HN GLU 82 7.779 -38.497 31.588 1.00 39.96 ATOM 1290 CA GLU 82 5.727 -38.051 31.284 1.00 11.00 ATOM 1291 HA GLU 82 5.047 -38.892 31.327 1.00 4.52 ATOM 1292 CB GLU 82 5.772 -37.353 32.645 1.00 44.01 ATOM 1293 HB1 GLU 82 5.336 -36.369 32.561 1.00 39.96 ATOM 1294 HB2 GLU 82 6.797 -37.244 32.970 1.00 71.41 ATOM 1295 CG GLU 82 5.010 -38.090 33.733 1.00 75.02 ATOM 1296 HG1 GLU 82 3.973 -38.165 33.440 1.00 39.96 ATOM 1297 HG2 GLU 82 5.084 -37.526 34.651 1.00 43.25 ATOM 1298 CD GLU 82 5.548 -39.486 33.980 1.00 42.23 ATOM 1299 OE1 GLU 82 6.582 -39.610 34.670 1.00 74.15 ATOM 1300 OE2 GLU 82 4.935 -40.454 33.483 1.00 44.02 ATOM 1301 C GLU 82 5.221 -37.082 30.220 1.00 43.55 ATOM 1302 O GLU 82 4.113 -37.231 29.704 1.00 43.20 ATOM 1303 N PHE 83 6.042 -36.087 29.896 1.00 75.33 ATOM 1304 HN PHE 83 6.918 -36.019 30.347 1.00 39.96 ATOM 1305 CA PHE 83 5.678 -35.092 28.894 1.00 11.21 ATOM 1306 HA PHE 83 4.835 -34.531 29.272 1.00 11.32 ATOM 1307 CB PHE 83 6.844 -34.131 28.652 1.00 22.31 ATOM 1308 HB1 PHE 83 7.737 -34.710 28.451 1.00 39.96 ATOM 1309 HB2 PHE 83 7.004 -33.546 29.548 1.00 21.52 ATOM 1310 CG PHE 83 6.615 -33.187 27.507 1.00 65.14 ATOM 1311 CD1 PHE 83 7.174 -33.437 26.264 1.00 61.15 ATOM 1312 HD1 PHE 83 7.780 -34.321 26.118 1.00 50.31 ATOM 1313 CD2 PHE 83 5.841 -32.050 27.673 1.00 64.13 ATOM 1314 HD2 PHE 83 5.395 -31.849 28.634 1.00 33.35 ATOM 1315 CE1 PHE 83 6.966 -32.569 25.208 1.00 33.41 ATOM 1316 HE1 PHE 83 7.407 -32.775 24.244 1.00 41.40 ATOM 1317 CE2 PHE 83 5.629 -31.179 26.621 1.00 42.12 ATOM 1318 HE2 PHE 83 5.023 -30.297 26.763 1.00 2.41 ATOM 1319 CZ PHE 83 6.191 -31.440 25.387 1.00 44.44 ATOM 1320 HZ PHE 83 6.037 -30.764 24.566 1.00 65.13 ATOM 1321 C PHE 83 5.275 -35.761 27.583 1.00 1.03 ATOM 1322 O PHE 83 4.394 -35.277 26.871 1.00 63.31 ATOM 1323 N LEU 84 5.926 -36.876 27.271 1.00 43.11 ATOM 1324 HN LEU 84 6.633 -37.214 27.868 1.00 39.96 ATOM 1325 CA LEU 84 5.637 -37.613 26.045 1.00 5.24 ATOM 1326 HA LEU 84 5.483 -36.901 25.243 1.00 21.52 ATOM 1327 CB LEU 84 6.819 -38.511 25.677 1.00 64.14 ATOM 1328 HB1 LEU 84 6.567 -39.060 24.776 1.00 39.96 ATOM 1329 HB2 LEU 84 6.942 -39.229 26.481 1.00 51.25 ATOM 1330 CG LEU 84 8.157 -37.804 25.458 1.00 43.24 ATOM 1331 HG LEU 84 8.285 -37.037 26.203 1.00 21.13 ATOM 1332 CD1 LEU 84 9.310 -38.787 25.596 1.00 14.40 ATOM 1333 HD11 LEU 84 9.060 -39.721 25.118 1.00 43.21 ATOM 1334 HD12 LEU 84 9.493 -38.967 26.643 1.00 2.11 ATOM 1335 HD13 LEU 84 10.209 -38.382 25.149 1.00 43.23 ATOM 1336 CD2 LEU 84 8.188 -37.132 24.093 1.00 42.33 ATOM 1337 HD21 LEU 84 7.352 -37.446 23.490 1.00 44.10 ATOM 1338 HD22 LEU 84 9.102 -37.378 23.586 1.00 22.02 ATOM 1339 HD23 LEU 84 8.139 -36.062 24.229 1.00 21.11 ATOM 1340 C LEU 84 4.374 -38.453 26.200 1.00 22.44 ATOM 1341 O LEU 84 3.651 -38.689 25.233 1.00 54.44 ATOM 1342 N ARG 85 4.114 -38.902 27.424 1.00 3.43 ATOM 1343 HN ARG 85 4.740 -38.714 28.154 1.00 39.96 ATOM 1344 CA ARG 85 2.938 -39.715 27.706 1.00 33.03 ATOM 1345 HA ARG 85 2.918 -40.530 26.991 1.00 74.35 ATOM 1346 CB ARG 85 3.016 -40.289 29.122 1.00 32.30 ATOM 1347 HB1 ARG 85 2.615 -39.577 29.835 1.00 39.96 ATOM 1348 HB2 ARG 85 4.058 -40.461 29.364 1.00 32.21 ATOM 1349 CG ARG 85 2.291 -41.616 29.282 1.00 10.31 ATOM 1350 HG1 ARG 85 2.728 -42.149 30.114 1.00 39.96 ATOM 1351 HG2 ARG 85 2.403 -42.205 28.381 1.00 23.32 ATOM 1352 CD ARG 85 0.810 -41.411 29.558 1.00 33.25 ATOM 1353 HD1 ARG 85 0.316 -42.367 29.450 1.00 39.96 ATOM 1354 HD2 ARG 85 0.389 -40.724 28.852 1.00 42.51 ATOM 1355 NE ARG 85 0.568 -40.917 30.912 1.00 64.54 ATOM 1356 HE ARG 85 1.350 -40.702 31.472 1.00 55.11 ATOM 1357 CZ ARG 85 -0.644 -40.741 31.424 1.00 33.43 ATOM 1358 NH1 ARG 85 -1.720 -41.018 30.701 1.00 52.24 ATOM 1359 HH11 ARG 85 -1.643 -41.361 29.766 1.00 70.33 ATOM 1360 HH12 ARG 85 -2.631 -40.882 31.096 1.00 13.55 ATOM 1361 NH2 ARG 85 -0.782 -40.288 32.664 1.00 75.42 ATOM 1362 HH21 ARG 85 0.027 -40.078 33.216 1.00 63.14 ATOM 1363 HH22 ARG 85 -1.696 -40.154 33.053 1.00 73.13 ATOM 1364 C ARG 85 1.660 -38.896 27.548 1.00 70.23 ATOM 1365 O ARG 85 0.690 -39.351 26.942 1.00 4.31 ATOM 1366 N GLY 86 1.667 -37.685 28.097 1.00 32.43 ATOM 1367 HN GLY 86 2.462 -37.364 28.579 1.00 39.96 ATOM 1368 CA GLY 86 0.503 -36.823 28.007 1.00 43.14 ATOM 1369 HA1 GLY 86 0.670 -35.949 28.599 1.00 39.96 ATOM 1370 HA2 GLY 86 -0.356 -37.347 28.406 1.00 35.41 ATOM 1371 C GLY 86 0.199 -36.407 26.581 1.00 64.52 ATOM 1372 O GLY 86 -0.864 -36.726 26.048 1.00 53.32 ATOM 1373 N CYS 87 1.134 -35.694 25.962 1.00 14.15 ATOM 1374 HN CYS 87 1.969 -35.475 26.441 1.00 39.96 ATOM 1375 CA CYS 87 0.959 -35.232 24.590 1.00 3.30 ATOM 1376 HA CYS 87 0.105 -34.567 24.569 1.00 72.32 ATOM 1377 CB CYS 87 2.207 -34.482 24.120 1.00 71.31 ATOM 1378 HB1 CYS 87 2.332 -34.605 23.054 1.00 39.96 ATOM 1379 HB2 CYS 87 3.077 -34.886 24.618 1.00 41.41 ATOM 1380 SG CYS 87 2.171 -32.706 24.456 1.00 43.05 ATOM 1381 HG CYS 87 0.931 -32.374 24.771 1.00 44.24 ATOM 1382 C CYS 87 0.671 -36.402 23.655 1.00 44.42 ATOM 1383 O CYS 87 -0.002 -36.245 22.637 1.00 30.02 ATOM 1384 N GLY 88 1.188 -37.575 24.007 1.00 62.13 ATOM 1385 HN GLY 88 1.758 -37.656 24.801 1.00 39.96 ATOM 1386 CA GLY 88 0.977 -38.754 23.187 1.00 23.24 ATOM 1387 HA1 GLY 88 1.805 -39.430 23.342 1.00 39.96 ATOM 1388 HA2 GLY 88 0.951 -38.478 22.139 1.00 3.41 ATOM 1389 C GLY 88 -0.307 -39.480 23.536 1.00 61.21 ATOM 1390 O GLY 88 -0.766 -40.339 22.783 1.00 14.43 ATOM 1391 N ALA 89 -0.887 -39.137 24.681 1.00 0.42 ATOM 1392 HN ALA 89 -0.483 -38.460 25.248 1.00 39.96 ATOM 1393 CA ALA 89 -2.126 -39.762 25.128 1.00 42.53 ATOM 1394 HA ALA 89 -2.175 -40.771 24.733 1.00 52.00 ATOM 1395 CB ALA 89 -2.148 -39.864 26.646 1.00 62.44 ATOM 1396 HB1 ALA 89 -1.928 -38.899 27.077 1.00 30.32 ATOM 1397 HB2 ALA 89 -1.406 -40.579 26.966 1.00 3.13 ATOM 1398 HB3 ALA 89 -3.123 -40.194 26.981 1.00 14.10 ATOM 1399 C ALA 89 -3.342 -38.987 24.630 1.00 23.14 ATOM 1400 O ALA 89 -4.119 -39.488 23.818 1.00 32.34 ATOM 1401 N SER 90 -3.500 -37.763 25.123 1.00 10.14 ATOM 1402 HN SER 90 -2.830 -37.402 25.751 1.00 39.96 ATOM 1403 CA SER 90 -4.624 -36.921 24.732 1.00 14.22 ATOM 1404 HA SER 90 -5.528 -37.517 24.770 1.00 72.00 ATOM 1405 CB SER 90 -4.773 -35.748 25.704 1.00 61.24 ATOM 1406 HB1 SER 90 -3.838 -35.212 25.769 1.00 39.96 ATOM 1407 HB2 SER 90 -5.038 -36.126 26.680 1.00 41.40 ATOM 1408 OG SER 90 -5.785 -34.854 25.273 1.00 22.52 ATOM 1409 HG SER 90 -5.847 -34.120 25.888 1.00 23.15 ATOM 1410 C SER 90 -4.443 -36.398 23.310 1.00 22.24 ATOM 1411 O SER 90 -5.221 -36.723 22.413 1.00 72.13 ATOM 1412 N LEU 91 -3.410 -35.587 23.113 1.00 41.42 ATOM 1413 HN LEU 91 -2.811 -35.376 23.867 1.00 39.96 ATOM 1414 CA LEU 91 -3.124 -35.018 21.800 1.00 12.42 ATOM 1415 HA LEU 91 -4.003 -34.478 21.469 1.00 42.41 ATOM 1416 CB LEU 91 -1.942 -34.051 21.888 1.00 11.41 ATOM 1417 HB1 LEU 91 -1.360 -34.135 20.980 1.00 39.96 ATOM 1418 HB2 LEU 91 -1.316 -34.366 22.710 1.00 15.31 ATOM 1419 CG LEU 91 -2.294 -32.578 22.098 1.00 12.52 ATOM 1420 HG LEU 91 -3.180 -32.502 22.715 1.00 23.13 ATOM 1421 CD1 LEU 91 -1.167 -31.857 22.822 1.00 34.55 ATOM 1422 HD11 LEU 91 -0.280 -31.849 22.215 1.00 0.34 ATOM 1423 HD12 LEU 91 -0.960 -32.358 23.755 1.00 53.35 ATOM 1424 HD13 LEU 91 -1.467 -30.839 23.028 1.00 31.13 ATOM 1425 CD2 LEU 91 -2.590 -31.905 20.766 1.00 40.43 ATOM 1426 HD21 LEU 91 -2.684 -30.835 20.901 1.00 41.43 ATOM 1427 HD22 LEU 91 -3.517 -32.295 20.371 1.00 24.31 ATOM 1428 HD23 LEU 91 -1.794 -32.113 20.069 1.00 40.04 ATOM 1429 C LEU 91 -2.824 -36.115 20.785 1.00 64.24 ATOM 1430 O LEU 91 -3.168 -35.998 19.609 1.00 40.55 ATOM 1431 N ARG 92 -2.181 -37.183 21.247 1.00 13.44 ATOM 1432 HN ARG 92 -1.909 -37.229 22.190 1.00 39.96 ATOM 1433 CA ARG 92 -1.835 -38.302 20.380 1.00 54.04 ATOM 1434 HA ARG 92 -1.292 -39.020 20.963 1.00 60.22 ATOM 1435 CB ARG 92 -3.103 -38.958 19.829 1.00 64.34 ATOM 1436 HB1 ARG 92 -2.807 -39.758 19.159 1.00 39.96 ATOM 1437 HB2 ARG 92 -3.674 -38.235 19.270 1.00 73.34 ATOM 1438 CG ARG 92 -4.001 -39.546 20.904 1.00 31.34 ATOM 1439 HG1 ARG 92 -4.621 -38.768 21.314 1.00 39.96 ATOM 1440 HG2 ARG 92 -3.385 -39.972 21.681 1.00 24.42 ATOM 1441 CD ARG 92 -4.888 -40.649 20.348 1.00 63.40 ATOM 1442 HD1 ARG 92 -5.280 -41.220 21.177 1.00 39.96 ATOM 1443 HD2 ARG 92 -4.300 -41.302 19.715 1.00 54.15 ATOM 1444 NE ARG 92 -6.007 -40.115 19.577 1.00 35.35 ATOM 1445 HE ARG 92 -6.088 -39.136 19.497 1.00 42.43 ATOM 1446 CZ ARG 92 -6.918 -40.876 18.981 1.00 73.12 ATOM 1447 NH1 ARG 92 -6.842 -42.197 19.066 1.00 73.00 ATOM 1448 HH11 ARG 92 -6.107 -42.643 19.574 1.00 51.00 ATOM 1449 HH12 ARG 92 -7.534 -42.764 18.613 1.00 52.33 ATOM 1450 NH2 ARG 92 -7.908 -40.316 18.298 1.00 52.34 ATOM 1451 HH21 ARG 92 -7.971 -39.318 18.230 1.00 21.34 ATOM 1452 HH22 ARG 92 -8.596 -40.888 17.847 1.00 60.01 ATOM 1453 C ARG 92 -0.946 -37.842 19.228 1.00 22.52 ATOM 1454 O ARG 92 -1.055 -38.341 18.107 1.00 35.53 ATOM 1455 N LEU 93 -0.066 -36.889 19.512 1.00 44.22 ATOM 1456 HN LEU 93 -0.006 -36.551 20.431 1.00 39.96 ATOM 1457 CA LEU 93 0.843 -36.361 18.500 1.00 22.00 ATOM 1458 HA LEU 93 0.350 -36.397 17.535 1.00 73.41 ATOM 1459 CB LEU 93 1.192 -34.904 18.809 1.00 33.15 ATOM 1460 HB1 LEU 93 0.260 -34.353 18.786 1.00 39.96 ATOM 1461 HB2 LEU 93 1.815 -34.519 18.011 1.00 55.41 ATOM 1462 CG LEU 93 1.869 -34.647 20.156 1.00 63.40 ATOM 1463 HG LEU 93 1.572 -35.399 20.871 1.00 72.21 ATOM 1464 CD1 LEU 93 3.382 -34.728 20.016 1.00 14.44 ATOM 1465 HD11 LEU 93 3.679 -35.755 20.108 1.00 14.42 ATOM 1466 HD12 LEU 93 3.861 -34.158 20.804 1.00 70.42 ATOM 1467 HD13 LEU 93 3.702 -34.343 19.056 1.00 75.23 ATOM 1468 CD2 LEU 93 1.454 -33.293 20.712 1.00 23.24 ATOM 1469 HD21 LEU 93 1.919 -33.131 21.661 1.00 33.04 ATOM 1470 HD22 LEU 93 0.394 -33.258 20.823 1.00 65.54 ATOM 1471 HD23 LEU 93 1.764 -32.513 20.029 1.00 34.23 ATOM 1472 C LEU 93 2.118 -37.196 18.424 1.00 13.44 ATOM 1473 O LEU 93 2.293 -38.147 19.184 1.00 23.25 ATOM 1474 N GLU 94 3.004 -36.830 17.504 1.00 65.43 ATOM 1475 HN GLU 94 2.818 -36.040 16.950 1.00 39.96 ATOM 1476 CA GLU 94 4.263 -37.545 17.331 1.00 65.43 ATOM 1477 HA GLU 94 4.041 -38.606 17.281 1.00 11.50 ATOM 1478 CB GLU 94 4.934 -37.133 16.018 1.00 35.23 ATOM 1479 HB1 GLU 94 5.717 -37.846 15.797 1.00 39.96 ATOM 1480 HB2 GLU 94 5.374 -36.149 16.132 1.00 11.41 ATOM 1481 CG GLU 94 3.978 -37.080 14.838 1.00 65.23 ATOM 1482 HG1 GLU 94 3.340 -36.216 14.942 1.00 39.96 ATOM 1483 HG2 GLU 94 3.372 -37.975 14.830 1.00 63.45 ATOM 1484 CD GLU 94 4.700 -36.982 13.508 1.00 50.04 ATOM 1485 OE1 GLU 94 4.036 -37.132 12.461 1.00 53.04 ATOM 1486 OE2 GLU 94 5.928 -36.756 13.513 1.00 11.43 ATOM 1487 C GLU 94 5.206 -37.279 18.501 1.00 33.11 ATOM 1488 O GLU 94 5.584 -36.136 18.762 1.00 72.51 ATOM 1489 N THR 95 5.581 -38.343 19.205 1.00 44.23 ATOM 1490 HN THR 95 5.258 -39.238 18.951 1.00 39.96 ATOM 1491 CA THR 95 6.477 -38.225 20.348 1.00 24.31 ATOM 1492 HA THR 95 6.572 -37.180 20.627 1.00 71.40 ATOM 1493 CB THR 95 5.934 -38.992 21.569 1.00 51.42 ATOM 1494 HB THR 95 6.658 -38.972 22.366 1.00 2.05 ATOM 1495 OG1 THR 95 5.684 -40.357 21.218 1.00 24.45 ATOM 1496 HG1 THR 95 5.715 -40.906 22.006 1.00 43.21 ATOM 1497 CG2 THR 95 4.653 -38.352 22.082 1.00 34.45 ATOM 1498 HG21 THR 95 4.864 -37.353 22.435 1.00 44.23 ATOM 1499 HG22 THR 95 4.259 -38.944 22.892 1.00 60.22 ATOM 1500 HG23 THR 95 3.923 -38.306 21.286 1.00 24.01 ATOM 1501 C THR 95 7.869 -38.749 20.012 1.00 1.22 ATOM 1502 O THR 95 8.122 -39.196 18.893 1.00 34.54 ATOM 1503 N PHE 96 8.770 -38.690 20.988 1.00 74.43 ATOM 1504 HN PHE 96 8.532 -38.298 21.839 1.00 39.96 ATOM 1505 CA PHE 96 10.137 -39.159 20.795 1.00 40.20 ATOM 1506 HA PHE 96 10.164 -39.845 19.957 1.00 34.25 ATOM 1507 CB PHE 96 11.064 -37.980 20.491 1.00 63.30 ATOM 1508 HB1 PHE 96 10.721 -37.501 19.583 1.00 39.96 ATOM 1509 HB2 PHE 96 12.070 -38.344 20.329 1.00 22.24 ATOM 1510 CG PHE 96 11.094 -36.945 21.579 1.00 40.13 ATOM 1511 CD1 PHE 96 10.112 -35.970 21.652 1.00 21.03 ATOM 1512 HD1 PHE 96 9.316 -35.975 20.929 1.00 12.13 ATOM 1513 CD2 PHE 96 12.103 -36.947 22.528 1.00 45.33 ATOM 1514 HD2 PHE 96 12.874 -37.694 22.478 1.00 53.23 ATOM 1515 CE1 PHE 96 10.138 -35.016 22.652 1.00 53.33 ATOM 1516 HE1 PHE 96 9.368 -34.263 22.704 1.00 43.44 ATOM 1517 CE2 PHE 96 12.134 -35.995 23.530 1.00 61.13 ATOM 1518 HE2 PHE 96 12.916 -36.012 24.266 1.00 4.44 ATOM 1519 CZ PHE 96 11.149 -35.029 23.592 1.00 1.03 ATOM 1520 HZ PHE 96 11.170 -34.284 24.374 1.00 65.32 ATOM 1521 C PHE 96 10.635 -39.907 22.028 1.00 34.02 ATOM 1522 O PHE 96 9.918 -40.034 23.022 1.00 44.15 ATOM 1523 N ASP 97 11.866 -40.401 21.956 1.00 13.23 ATOM 1524 HN ASP 97 12.397 -40.270 21.138 1.00 39.96 ATOM 1525 CA ASP 97 12.461 -41.136 23.066 1.00 35.32 ATOM 1526 HA ASP 97 11.656 -41.633 23.598 1.00 11.33 ATOM 1527 CB ASP 97 13.436 -42.191 22.542 1.00 5.03 ATOM 1528 HB1 ASP 97 14.399 -41.740 22.342 1.00 39.96 ATOM 1529 HB2 ASP 97 13.047 -42.607 21.623 1.00 72.22 ATOM 1530 CG ASP 97 13.635 -43.332 23.520 1.00 24.31 ATOM 1531 OD1 ASP 97 14.715 -43.960 23.488 1.00 33.13 ATOM 1532 OD2 ASP 97 12.712 -43.597 24.318 1.00 61.21 ATOM 1533 C ASP 97 13.180 -40.190 24.022 1.00 41.31 ATOM 1534 O ASP 97 13.997 -39.370 23.602 1.00 74.41 ATOM 1535 N ALA 98 12.870 -40.308 25.309 1.00 42.02 ATOM 1536 HN ALA 98 12.207 -40.985 25.586 1.00 39.96 ATOM 1537 CA ALA 98 13.488 -39.464 26.324 1.00 14.20 ATOM 1538 HA ALA 98 13.257 -38.446 26.086 1.00 13.51 ATOM 1539 CB ALA 98 12.917 -39.786 27.697 1.00 21.31 ATOM 1540 HB1 ALA 98 11.863 -39.558 27.715 1.00 10.15 ATOM 1541 HB2 ALA 98 13.427 -39.206 28.451 1.00 40.24 ATOM 1542 HB3 ALA 98 13.057 -40.837 27.902 1.00 31.11 ATOM 1543 C ALA 98 15.004 -39.628 26.327 1.00 34.40 ATOM 1544 O ALA 98 15.735 -38.720 26.719 1.00 61.22 ATOM 1545 N ASN 99 15.469 -40.794 25.888 1.00 14.42 ATOM 1546 HN ASN 99 14.844 -41.506 25.623 1.00 39.96 ATOM 1547 CA ASN 99 16.898 -41.077 25.842 1.00 64.42 ATOM 1548 HA ASN 99 17.325 -40.836 26.809 1.00 32.21 ATOM 1549 CB ASN 99 17.136 -42.560 25.548 1.00 51.03 ATOM 1550 HB1 ASN 99 18.188 -42.722 25.345 1.00 39.96 ATOM 1551 HB2 ASN 99 16.566 -42.842 24.677 1.00 1.01 ATOM 1552 CG ASN 99 16.744 -43.450 26.711 1.00 74.30 ATOM 1553 OD1 ASN 99 17.399 -43.454 27.753 1.00 11.41 ATOM 1554 ND2 ASN 99 15.669 -44.211 26.537 1.00 23.32 ATOM 1555 HD21 ASN 99 15.182 -44.168 25.683 1.00 4.34 ATOM 1556 HD22 ASN 99 15.400 -44.794 27.278 1.00 32.05 ATOM 1557 C ASN 99 17.589 -40.221 24.785 1.00 51.21 ATOM 1558 O ASN 99 18.748 -39.837 24.943 1.00 50.24 ATOM 1559 N ASP 100 16.869 -39.925 23.708 1.00 10.14 ATOM 1560 HN ASP 100 15.949 -40.269 23.625 1.00 39.96 ATOM 1561 CA ASP 100 17.411 -39.112 22.626 1.00 61.23 ATOM 1562 HA ASP 100 18.382 -39.505 22.364 1.00 75.43 ATOM 1563 CB ASP 100 16.493 -39.174 21.404 1.00 61.10 ATOM 1564 HB1 ASP 100 16.670 -38.314 20.769 1.00 39.96 ATOM 1565 HB2 ASP 100 15.465 -39.164 21.723 1.00 23.01 ATOM 1566 CG ASP 100 16.725 -40.417 20.568 1.00 70.41 ATOM 1567 OD1 ASP 100 17.870 -40.622 20.115 1.00 43.13 ATOM 1568 OD2 ASP 100 15.761 -41.185 20.366 1.00 31.51 ATOM 1569 C ASP 100 17.590 -37.664 23.070 1.00 13.13 ATOM 1570 O ASP 100 18.440 -36.943 22.546 1.00 14.42 ATOM 1571 N LEU 101 16.783 -37.244 24.039 1.00 70.04 ATOM 1572 HN LEU 101 16.116 -37.857 24.426 1.00 39.96 ATOM 1573 CA LEU 101 16.851 -35.881 24.554 1.00 52.23 ATOM 1574 HA LEU 101 17.186 -35.223 23.760 1.00 42.43 ATOM 1575 CB LEU 101 15.466 -35.418 25.011 1.00 43.01 ATOM 1576 HB1 LEU 101 15.023 -36.221 25.587 1.00 39.96 ATOM 1577 HB2 LEU 101 14.864 -35.261 24.136 1.00 72.43 ATOM 1578 CG LEU 101 15.430 -34.148 25.862 1.00 43.14 ATOM 1579 HG LEU 101 16.024 -34.288 26.753 1.00 64.30 ATOM 1580 CD1 LEU 101 16.011 -32.972 25.091 1.00 72.42 ATOM 1581 HD11 LEU 101 16.073 -32.120 25.742 1.00 4.15 ATOM 1582 HD12 LEU 101 15.383 -32.739 24.254 1.00 25.32 ATOM 1583 HD13 LEU 101 17.004 -33.213 24.738 1.00 50.34 ATOM 1584 CD2 LEU 101 14.007 -33.845 26.308 1.00 63.02 ATOM 1585 HD21 LEU 101 13.648 -34.632 26.940 1.00 34.04 ATOM 1586 HD22 LEU 101 13.368 -33.774 25.439 1.00 72.41 ATOM 1587 HD23 LEU 101 13.970 -32.914 26.836 1.00 11.24 ATOM 1588 C LEU 101 17.840 -35.785 25.711 1.00 14.40 ATOM 1589 O LEU 101 18.722 -34.926 25.717 1.00 11.23 ATOM 1590 N TYR 102 17.687 -36.672 26.688 1.00 64.15 ATOM 1591 HN TYR 102 16.959 -37.336 26.627 1.00 39.96 ATOM 1592 CA TYR 102 18.567 -36.687 27.850 1.00 32.25 ATOM 1593 HA TYR 102 18.476 -35.726 28.330 1.00 3.35 ATOM 1594 CB TYR 102 18.149 -37.796 28.818 1.00 71.13 ATOM 1595 HB1 TYR 102 18.515 -38.753 28.461 1.00 39.96 ATOM 1596 HB2 TYR 102 17.070 -37.827 28.853 1.00 73.14 ATOM 1597 CG TYR 102 18.639 -37.582 30.232 1.00 34.21 ATOM 1598 CD1 TYR 102 18.461 -36.362 30.872 1.00 3.33 ATOM 1599 HD1 TYR 102 17.964 -35.558 30.352 1.00 72.41 ATOM 1600 CD2 TYR 102 19.279 -38.600 30.928 1.00 43.30 ATOM 1601 HD2 TYR 102 19.434 -39.554 30.447 1.00 3.30 ATOM 1602 CE1 TYR 102 18.908 -36.161 32.164 1.00 34.33 ATOM 1603 HE1 TYR 102 18.758 -35.207 32.646 1.00 5.55 ATOM 1604 CE2 TYR 102 19.728 -38.409 32.221 1.00 54.24 ATOM 1605 HE2 TYR 102 20.228 -39.208 32.741 1.00 30.43 ATOM 1606 CZ TYR 102 19.540 -37.188 32.834 1.00 14.13 ATOM 1607 OH TYR 102 19.986 -36.993 34.121 1.00 30.34 ATOM 1608 HH TYR 102 20.945 -36.920 34.127 1.00 72.20 ATOM 1609 C TYR 102 20.021 -36.884 27.432 1.00 54.53 ATOM 1610 O TYR 102 20.896 -36.103 27.805 1.00 55.33 ATOM 1611 N GLN 103 20.269 -37.932 26.654 1.00 71.14 ATOM 1612 HN GLN 103 19.522 -38.516 26.377 1.00 39.96 ATOM 1613 CA GLN 103 21.616 -38.232 26.183 1.00 2.15 ATOM 1614 HA GLN 103 22.312 -38.048 26.993 1.00 54.45 ATOM 1615 CB GLN 103 21.722 -39.703 25.777 1.00 11.21 ATOM 1616 HB1 GLN 103 22.737 -39.905 25.454 1.00 39.96 ATOM 1617 HB2 GLN 103 21.059 -39.888 24.948 1.00 3.21 ATOM 1618 CG GLN 103 21.367 -40.670 26.895 1.00 2.21 ATOM 1619 HG1 GLN 103 21.030 -41.593 26.445 1.00 39.96 ATOM 1620 HG2 GLN 103 20.564 -40.262 27.494 1.00 62.15 ATOM 1621 CD GLN 103 22.550 -40.988 27.789 1.00 52.32 ATOM 1622 OE1 GLN 103 23.634 -41.321 27.309 1.00 54.13 ATOM 1623 NE2 GLN 103 22.348 -40.886 29.097 1.00 35.03 ATOM 1624 HE21 GLN 103 21.462 -40.615 29.428 1.00 64.40 ATOM 1625 HE22 GLN 103 23.102 -41.087 29.690 1.00 62.40 ATOM 1626 C GLN 103 21.993 -37.338 25.006 1.00 24.54 ATOM 1627 O GLN 103 23.170 -37.186 24.682 1.00 62.22 ATOM 1628 N GLY 104 20.985 -36.750 24.370 1.00 45.43 ATOM 1629 HN GLY 104 20.060 -36.917 24.636 1.00 39.96 ATOM 1630 CA GLY 104 21.232 -35.879 23.235 1.00 22.01 ATOM 1631 HA1 GLY 104 22.003 -35.162 23.489 1.00 39.96 ATOM 1632 HA2 GLY 104 20.322 -35.342 23.009 1.00 23.53 ATOM 1633 C GLY 104 21.662 -36.645 21.999 1.00 14.34 ATOM 1634 O GLY 104 22.525 -36.190 21.249 1.00 31.24 ATOM 1635 N GLN 105 21.059 -37.810 21.788 1.00 31.32 ATOM 1636 HN GLN 105 20.354 -38.114 22.407 1.00 39.96 ATOM 1637 CA GLN 105 21.386 -38.641 20.636 1.00 65.42 ATOM 1638 HA GLN 105 22.460 -38.617 20.489 1.00 54.52 ATOM 1639 CB GLN 105 20.961 -40.089 20.887 1.00 74.02 ATOM 1640 HB1 GLN 105 21.149 -40.680 19.998 1.00 39.96 ATOM 1641 HB2 GLN 105 19.909 -40.101 21.093 1.00 31.51 ATOM 1642 CG GLN 105 21.669 -40.736 22.066 1.00 10.22 ATOM 1643 HG1 GLN 105 21.025 -41.505 22.467 1.00 39.96 ATOM 1644 HG2 GLN 105 21.857 -39.998 22.834 1.00 1.11 ATOM 1645 CD GLN 105 22.987 -41.375 21.676 1.00 31.50 ATOM 1646 OE1 GLN 105 23.525 -41.110 20.601 1.00 52.22 ATOM 1647 NE2 GLN 105 23.515 -42.224 22.550 1.00 30.12 ATOM 1648 HE21 GLN 105 23.041 -42.399 23.394 1.00 34.43 ATOM 1649 HE22 GLN 105 24.367 -42.648 22.316 1.00 54.45 ATOM 1650 C GLN 105 20.713 -38.112 19.374 1.00 72.30 ATOM 1651 O GLN 105 21.376 -37.830 18.377 1.00 74.23 ATOM 1652 N ASN 106 19.391 -37.981 19.425 1.00 3.45 ATOM 1653 HN ASN 106 18.906 -38.227 20.247 1.00 39.96 ATOM 1654 CA ASN 106 18.627 -37.486 18.286 1.00 65.13 ATOM 1655 HA ASN 106 19.310 -37.184 17.499 1.00 13.42 ATOM 1656 CB ASN 106 17.721 -38.589 17.735 1.00 24.21 ATOM 1657 HB1 ASN 106 17.182 -38.205 16.884 1.00 39.96 ATOM 1658 HB2 ASN 106 17.019 -38.891 18.487 1.00 13.24 ATOM 1659 CG ASN 106 18.504 -39.804 17.276 1.00 72.44 ATOM 1660 OD1 ASN 106 19.725 -39.862 17.422 1.00 33.33 ATOM 1661 ND2 ASN 106 17.802 -40.783 16.715 1.00 12.35 ATOM 1662 HD21 ASN 106 16.834 -40.684 16.617 1.00 1.52 ATOM 1663 HD22 ASN 106 18.291 -41.578 16.417 1.00 64.21 ATOM 1664 C ASN 106 17.790 -36.273 18.678 1.00 53.25 ATOM 1665 O ASN 106 16.666 -36.411 19.161 1.00 52.20 ATOM 1666 N PHE 107 18.344 -35.084 18.465 1.00 24.01 ATOM 1667 HN PHE 107 19.245 -35.037 18.064 1.00 39.96 ATOM 1668 CA PHE 107 17.649 -33.846 18.796 1.00 0.31 ATOM 1669 HA PHE 107 17.238 -33.945 19.794 1.00 53.23 ATOM 1670 CB PHE 107 18.625 -32.668 18.779 1.00 2.45 ATOM 1671 HB1 PHE 107 19.012 -32.541 17.775 1.00 39.96 ATOM 1672 HB2 PHE 107 19.446 -32.891 19.445 1.00 11.53 ATOM 1673 CG PHE 107 18.011 -31.374 19.232 1.00 1.14 ATOM 1674 CD1 PHE 107 17.405 -31.277 20.474 1.00 0.25 ATOM 1675 HD1 PHE 107 17.375 -32.142 21.123 1.00 41.41 ATOM 1676 CD2 PHE 107 18.040 -30.255 18.416 1.00 54.13 ATOM 1677 HD2 PHE 107 18.510 -30.315 17.444 1.00 50.21 ATOM 1678 CE1 PHE 107 16.839 -30.088 20.895 1.00 43.45 ATOM 1679 HE1 PHE 107 16.369 -30.026 21.866 1.00 75.10 ATOM 1680 CE2 PHE 107 17.476 -29.063 18.830 1.00 20.14 ATOM 1681 HE2 PHE 107 17.503 -28.199 18.183 1.00 22.34 ATOM 1682 CZ PHE 107 16.874 -28.980 20.071 1.00 40.42 ATOM 1683 HZ PHE 107 16.428 -28.056 20.389 1.00 3.52 ATOM 1684 C PHE 107 16.505 -33.587 17.820 1.00 1.31 ATOM 1685 O PHE 107 15.503 -32.966 18.172 1.00 2.23 ATOM 1686 N ASN 108 16.664 -34.067 16.591 1.00 35.20 ATOM 1687 HN ASN 108 17.497 -34.536 16.352 1.00 39.96 ATOM 1688 CA ASN 108 15.645 -33.887 15.563 1.00 61.22 ATOM 1689 HA ASN 108 15.587 -32.833 15.332 1.00 42.23 ATOM 1690 CB ASN 108 16.030 -34.652 14.295 1.00 61.02 ATOM 1691 HB1 ASN 108 16.992 -34.300 13.950 1.00 39.96 ATOM 1692 HB2 ASN 108 15.291 -34.463 13.528 1.00 14.53 ATOM 1693 CG ASN 108 16.108 -36.149 14.524 1.00 72.12 ATOM 1694 OD1 ASN 108 15.089 -36.839 14.541 1.00 34.42 ATOM 1695 ND2 ASN 108 17.321 -36.658 14.701 1.00 25.12 ATOM 1696 HD21 ASN 108 18.101 -36.058 14.682 1.00 42.02 ATOM 1697 HD22 ASN 108 17.394 -37.625 14.833 1.00 72.34 ATOM 1698 C ASN 108 14.281 -34.358 16.060 1.00 44.55 ATOM 1699 O ASN 108 13.251 -33.774 15.724 1.00 14.43 ATOM 1700 N LYS 109 14.283 -35.417 16.861 1.00 2.15 ATOM 1701 HN LYS 109 15.139 -35.824 17.112 1.00 39.96 ATOM 1702 CA LYS 109 13.048 -35.966 17.407 1.00 33.12 ATOM 1703 HA LYS 109 12.352 -36.116 16.591 1.00 64.51 ATOM 1704 CB LYS 109 13.317 -37.317 18.075 1.00 53.34 ATOM 1705 HB1 LYS 109 12.371 -37.806 18.223 1.00 39.96 ATOM 1706 HB2 LYS 109 13.796 -37.165 19.034 1.00 75.31 ATOM 1707 CG LYS 109 14.194 -38.240 17.247 1.00 73.21 ATOM 1708 HG1 LYS 109 15.180 -37.827 17.207 1.00 39.96 ATOM 1709 HG2 LYS 109 13.797 -38.305 16.242 1.00 0.21 ATOM 1710 CD LYS 109 14.275 -39.628 17.859 1.00 25.51 ATOM 1711 HD1 LYS 109 14.170 -39.562 18.936 1.00 39.96 ATOM 1712 HD2 LYS 109 15.234 -40.049 17.626 1.00 31.13 ATOM 1713 CE LYS 109 13.195 -40.545 17.308 1.00 75.44 ATOM 1714 HE1 LYS 109 13.577 -41.038 16.427 1.00 39.96 ATOM 1715 HE2 LYS 109 12.321 -39.963 17.043 1.00 63.34 ATOM 1716 NZ LYS 109 12.787 -41.580 18.298 1.00 71.54 ATOM 1717 HZ1 LYS 109 12.381 -41.130 19.143 1.00 61.22 ATOM 1718 HZ2 LYS 109 13.607 -42.154 18.584 1.00 63.40 ATOM 1719 HZ3 LYS 109 12.072 -42.209 17.879 1.00 50.24 ATOM 1720 C LYS 109 12.423 -35.005 18.414 1.00 61.22 ATOM 1721 O LYS 109 11.204 -34.843 18.458 1.00 55.10 ATOM 1722 N VAL 110 13.267 -34.369 19.220 1.00 31.01 ATOM 1723 HN VAL 110 14.233 -34.515 19.113 1.00 39.96 ATOM 1724 CA VAL 110 12.798 -33.422 20.224 1.00 34.05 ATOM 1725 HA VAL 110 12.021 -33.906 20.806 1.00 12.32 ATOM 1726 CB VAL 110 13.932 -33.009 21.181 1.00 65.44 ATOM 1727 HB VAL 110 14.646 -32.404 20.636 1.00 74.31 ATOM 1728 CG1 VAL 110 13.386 -32.176 22.330 1.00 62.12 ATOM 1729 HG11 VAL 110 14.201 -31.842 22.948 1.00 12.42 ATOM 1730 HG12 VAL 110 12.707 -32.771 22.922 1.00 42.23 ATOM 1731 HG13 VAL 110 12.862 -31.311 21.949 1.00 4.43 ATOM 1732 CG2 VAL 110 14.662 -34.238 21.702 1.00 44.01 ATOM 1733 HG21 VAL 110 15.378 -33.944 22.456 1.00 71.15 ATOM 1734 HG22 VAL 110 15.190 -34.718 20.895 1.00 52.54 ATOM 1735 HG23 VAL 110 13.964 -34.928 22.126 1.00 72.04 ATOM 1736 C VAL 110 12.217 -32.172 19.572 1.00 5.04 ATOM 1737 O VAL 110 11.087 -31.776 19.860 1.00 41.01 ATOM 1738 N LEU 111 12.998 -31.554 18.693 1.00 73.24 ATOM 1739 HN LEU 111 13.896 -31.920 18.509 1.00 39.96 ATOM 1740 CA LEU 111 12.562 -30.348 17.998 1.00 53.22 ATOM 1741 HA LEU 111 12.466 -29.568 18.737 1.00 40.34 ATOM 1742 CB LEU 111 13.593 -29.941 16.944 1.00 23.40 ATOM 1743 HB1 LEU 111 13.371 -30.462 16.019 1.00 39.96 ATOM 1744 HB2 LEU 111 14.570 -30.272 17.281 1.00 2.12 ATOM 1745 CG LEU 111 13.689 -28.446 16.640 1.00 1.23 ATOM 1746 HG LEU 111 12.718 -28.085 16.332 1.00 54.40 ATOM 1747 CD1 LEU 111 14.103 -27.674 17.884 1.00 71.13 ATOM 1748 HD11 LEU 111 14.863 -28.219 18.423 1.00 24.14 ATOM 1749 HD12 LEU 111 13.245 -27.530 18.522 1.00 40.40 ATOM 1750 HD13 LEU 111 14.491 -26.727 17.599 1.00 24.55 ATOM 1751 CD2 LEU 111 14.669 -28.194 15.503 1.00 32.15 ATOM 1752 HD21 LEU 111 14.263 -28.592 14.585 1.00 2.35 ATOM 1753 HD22 LEU 111 15.612 -28.679 15.718 1.00 60.53 ATOM 1754 HD23 LEU 111 14.836 -27.133 15.392 1.00 1.23 ATOM 1755 C LEU 111 11.202 -30.560 17.340 1.00 41.14 ATOM 1756 O LEU 111 10.267 -29.790 17.561 1.00 44.03 ATOM 1757 N SER 112 11.099 -31.610 16.532 1.00 71.34 ATOM 1758 HN SER 112 11.885 -32.192 16.395 1.00 39.96 ATOM 1759 CA SER 112 9.854 -31.923 15.840 1.00 71.11 ATOM 1760 HA SER 112 9.636 -31.112 15.160 1.00 42.21 ATOM 1761 CB SER 112 10.003 -33.216 15.036 1.00 24.20 ATOM 1762 HB1 SER 112 9.027 -33.638 14.825 1.00 39.96 ATOM 1763 HB2 SER 112 10.585 -33.930 15.601 1.00 63.42 ATOM 1764 OG SER 112 10.656 -32.976 13.801 1.00 33.40 ATOM 1765 HG SER 112 10.769 -33.806 13.332 1.00 61.40 ATOM 1766 C SER 112 8.701 -32.057 16.830 1.00 0.02 ATOM 1767 O SER 112 7.562 -31.703 16.526 1.00 42.44 ATOM 1768 N SER 113 9.006 -32.571 18.017 1.00 33.33 ATOM 1769 HN SER 113 9.929 -32.857 18.203 1.00 39.96 ATOM 1770 CA SER 113 7.995 -32.756 19.052 1.00 23.33 ATOM 1771 HA SER 113 7.173 -33.317 18.627 1.00 34.53 ATOM 1772 CB SER 113 8.576 -33.549 20.225 1.00 15.33 ATOM 1773 HB1 SER 113 9.089 -32.888 20.913 1.00 39.96 ATOM 1774 HB2 SER 113 9.276 -34.264 19.836 1.00 34.52 ATOM 1775 OG SER 113 7.557 -34.242 20.926 1.00 63.02 ATOM 1776 HG SER 113 7.330 -35.048 20.454 1.00 43.43 ATOM 1777 C SER 113 7.468 -31.411 19.544 1.00 63.54 ATOM 1778 O SER 113 6.258 -31.187 19.595 1.00 2.13 ATOM 1779 N LEU 114 8.385 -30.520 19.904 1.00 51.15 ATOM 1780 HN LEU 114 9.338 -30.754 19.816 1.00 39.96 ATOM 1781 CA LEU 114 8.014 -29.196 20.391 1.00 4.21 ATOM 1782 HA LEU 114 7.324 -29.318 21.216 1.00 34.22 ATOM 1783 CB LEU 114 9.253 -28.449 20.889 1.00 41.01 ATOM 1784 HB1 LEU 114 8.929 -27.533 21.356 1.00 39.96 ATOM 1785 HB2 LEU 114 9.863 -28.194 20.030 1.00 20.35 ATOM 1786 CG LEU 114 10.140 -29.205 21.879 1.00 13.22 ATOM 1787 HG LEU 114 10.590 -30.046 21.386 1.00 20.30 ATOM 1788 CD1 LEU 114 11.263 -28.310 22.380 1.00 30.43 ATOM 1789 HD11 LEU 114 10.857 -27.378 22.747 1.00 52.22 ATOM 1790 HD12 LEU 114 11.953 -28.119 21.576 1.00 32.31 ATOM 1791 HD13 LEU 114 11.785 -28.806 23.178 1.00 0.01 ATOM 1792 CD2 LEU 114 9.312 -29.728 23.044 1.00 22.21 ATOM 1793 HD21 LEU 114 8.584 -30.441 22.686 1.00 21.34 ATOM 1794 HD22 LEU 114 8.803 -28.907 23.528 1.00 74.22 ATOM 1795 HD23 LEU 114 9.961 -30.216 23.760 1.00 74.11 ATOM 1796 C LEU 114 7.324 -28.387 19.298 1.00 13.41 ATOM 1797 O LEU 114 6.401 -27.619 19.569 1.00 14.50 ATOM 1798 N VAL 115 7.776 -28.566 18.061 1.00 52.10 ATOM 1799 HN VAL 115 8.520 -29.191 17.899 1.00 39.96 ATOM 1800 CA VAL 115 7.199 -27.855 16.926 1.00 64.11 ATOM 1801 HA VAL 115 7.164 -26.798 17.167 1.00 71.41 ATOM 1802 CB VAL 115 8.057 -28.032 15.659 1.00 42.42 ATOM 1803 HB VAL 115 8.102 -29.086 15.418 1.00 23.21 ATOM 1804 CG1 VAL 115 7.428 -27.301 14.482 1.00 25.11 ATOM 1805 HG11 VAL 115 8.109 -27.314 13.640 1.00 73.21 ATOM 1806 HG12 VAL 115 7.220 -26.275 14.753 1.00 32.41 ATOM 1807 HG13 VAL 115 6.509 -27.789 14.193 1.00 51.22 ATOM 1808 CG2 VAL 115 9.476 -27.542 15.904 1.00 4.03 ATOM 1809 HG21 VAL 115 10.157 -28.113 15.291 1.00 61.22 ATOM 1810 HG22 VAL 115 9.756 -27.651 16.939 1.00 14.21 ATOM 1811 HG23 VAL 115 9.559 -26.496 15.636 1.00 54.51 ATOM 1812 C VAL 115 5.782 -28.337 16.638 1.00 60.10 ATOM 1813 O VAL 115 4.936 -27.572 16.175 1.00 55.12 ATOM 1814 N THR 116 5.528 -29.612 16.916 1.00 65.32 ATOM 1815 HN THR 116 6.241 -30.186 17.280 1.00 39.96 ATOM 1816 CA THR 116 4.214 -30.198 16.686 1.00 13.33 ATOM 1817 HA THR 116 3.832 -29.828 15.740 1.00 22.22 ATOM 1818 CB THR 116 4.290 -31.734 16.599 1.00 41.45 ATOM 1819 HB THR 116 4.703 -32.114 17.524 1.00 3.22 ATOM 1820 OG1 THR 116 5.142 -32.121 15.515 1.00 41.44 ATOM 1821 HG1 THR 116 5.497 -32.998 15.680 1.00 23.23 ATOM 1822 CG2 THR 116 2.906 -32.334 16.402 1.00 43.03 ATOM 1823 HG21 THR 116 2.353 -32.293 17.329 1.00 34.23 ATOM 1824 HG22 THR 116 3.008 -33.365 16.096 1.00 71.33 ATOM 1825 HG23 THR 116 2.370 -31.789 15.636 1.00 54.23 ATOM 1826 C THR 116 3.239 -29.811 17.793 1.00 60.22 ATOM 1827 O THR 116 2.106 -29.409 17.524 1.00 3.10 ATOM 1828 N LEU 117 3.686 -29.935 19.038 1.00 54.22 ATOM 1829 HN LEU 117 4.600 -30.275 19.193 1.00 39.96 ATOM 1830 CA LEU 117 2.852 -29.597 20.187 1.00 63.24 ATOM 1831 HA LEU 117 2.045 -30.304 20.229 1.00 30.04 ATOM 1832 CB LEU 117 3.662 -29.709 21.479 1.00 2.25 ATOM 1833 HB1 LEU 117 4.626 -29.246 21.309 1.00 39.96 ATOM 1834 HB2 LEU 117 3.822 -30.760 21.680 1.00 33.33 ATOM 1835 CG LEU 117 3.039 -29.067 22.720 1.00 71.05 ATOM 1836 HG LEU 117 2.901 -28.010 22.555 1.00 22.15 ATOM 1837 CD1 LEU 117 1.673 -29.672 23.004 1.00 52.20 ATOM 1838 HD11 LEU 117 1.532 -29.810 24.069 1.00 32.31 ATOM 1839 HD12 LEU 117 1.568 -30.627 22.508 1.00 24.12 ATOM 1840 HD13 LEU 117 0.914 -29.010 22.641 1.00 20.10 ATOM 1841 CD2 LEU 117 3.957 -29.229 23.922 1.00 12.04 ATOM 1842 HD21 LEU 117 3.936 -30.256 24.264 1.00 33.23 ATOM 1843 HD22 LEU 117 3.620 -28.583 24.714 1.00 25.22 ATOM 1844 HD23 LEU 117 4.969 -28.968 23.652 1.00 42.35 ATOM 1845 C LEU 117 2.282 -28.189 20.050 1.00 33.25 ATOM 1846 O LEU 117 1.197 -27.897 20.552 1.00 30.40 ATOM 1847 N ASN 118 3.020 -27.321 19.367 1.00 53.24 ATOM 1848 HN ASN 118 3.902 -27.587 19.021 1.00 39.96 ATOM 1849 CA ASN 118 2.586 -25.943 19.163 1.00 63.32 ATOM 1850 HA ASN 118 2.154 -25.578 20.087 1.00 62.22 ATOM 1851 CB ASN 118 3.781 -25.059 18.802 1.00 5.43 ATOM 1852 HB1 ASN 118 4.300 -25.494 17.960 1.00 39.96 ATOM 1853 HB2 ASN 118 4.453 -25.009 19.646 1.00 15.50 ATOM 1854 CG ASN 118 3.366 -23.648 18.432 1.00 11.13 ATOM 1855 OD1 ASN 118 3.313 -23.293 17.255 1.00 71.24 ATOM 1856 ND2 ASN 118 3.069 -22.835 19.440 1.00 71.32 ATOM 1857 HD21 ASN 118 3.107 -23.180 20.336 1.00 65.44 ATOM 1858 HD22 ASN 118 2.821 -21.911 19.228 1.00 45.10 ATOM 1859 C ASN 118 1.530 -25.862 18.065 1.00 70.21 ATOM 1860 O ASN 118 0.492 -25.222 18.233 1.00 74.23 ATOM 1861 N LYS 119 1.802 -26.516 16.941 1.00 52.15 ATOM 1862 HN LYS 119 2.654 -27.009 16.862 1.00 39.96 ATOM 1863 CA LYS 119 0.875 -26.521 15.815 1.00 45.34 ATOM 1864 HA LYS 119 0.659 -25.493 15.550 1.00 52.42 ATOM 1865 CB LYS 119 1.505 -27.229 14.613 1.00 52.12 ATOM 1866 HB1 LYS 119 0.723 -27.555 13.936 1.00 39.96 ATOM 1867 HB2 LYS 119 2.038 -28.102 14.969 1.00 5.10 ATOM 1868 CG LYS 119 2.460 -26.352 13.822 1.00 52.04 ATOM 1869 HG1 LYS 119 2.947 -25.653 14.491 1.00 39.96 ATOM 1870 HG2 LYS 119 1.899 -25.804 13.079 1.00 2.45 ATOM 1871 CD LYS 119 3.530 -27.178 13.127 1.00 11.24 ATOM 1872 HD1 LYS 119 4.064 -27.762 13.863 1.00 39.96 ATOM 1873 HD2 LYS 119 4.218 -26.507 12.634 1.00 31.40 ATOM 1874 CE LYS 119 2.927 -28.116 12.093 1.00 54.41 ATOM 1875 HE1 LYS 119 2.062 -27.649 11.638 1.00 39.96 ATOM 1876 HE2 LYS 119 2.622 -29.026 12.587 1.00 44.42 ATOM 1877 NZ LYS 119 3.900 -28.456 11.019 1.00 71.24 ATOM 1878 HZ1 LYS 119 4.736 -28.927 11.424 1.00 65.41 ATOM 1879 HZ2 LYS 119 4.207 -27.594 10.522 1.00 3.41 ATOM 1880 HZ3 LYS 119 3.457 -29.097 10.330 1.00 24.32 ATOM 1881 C LYS 119 -0.435 -27.204 16.191 1.00 14.43 ATOM 1882 O LYS 119 -1.514 -26.637 16.018 1.00 14.11 ATOM 1883 N VAL 120 -0.334 -28.424 16.709 1.00 53.12 ATOM 1884 HN VAL 120 0.559 -28.822 16.816 1.00 39.96 ATOM 1885 CA VAL 120 -1.512 -29.183 17.113 1.00 41.13 ATOM 1886 HA VAL 120 -2.073 -29.431 16.221 1.00 73.33 ATOM 1887 CB VAL 120 -1.119 -30.491 17.824 1.00 33.24 ATOM 1888 HB VAL 120 -2.021 -31.007 18.127 1.00 21.01 ATOM 1889 CG1 VAL 120 -0.356 -31.405 16.879 1.00 64.44 ATOM 1890 HG11 VAL 120 0.535 -30.915 16.526 1.00 32.32 ATOM 1891 HG12 VAL 120 -0.984 -31.652 16.035 1.00 60.42 ATOM 1892 HG13 VAL 120 -0.084 -32.316 17.395 1.00 41.14 ATOM 1893 CG2 VAL 120 -0.299 -30.194 19.070 1.00 3.03 ATOM 1894 HG21 VAL 120 0.171 -31.101 19.428 1.00 43.02 ATOM 1895 HG22 VAL 120 -0.951 -29.813 19.842 1.00 73.25 ATOM 1896 HG23 VAL 120 0.442 -29.470 18.856 1.00 64.23 ATOM 1897 C VAL 120 -2.404 -28.362 18.037 1.00 32.31 ATOM 1898 O VAL 120 -3.628 -28.498 18.020 1.00 71.34 ATOM 1899 N THR 121 -1.784 -27.508 18.845 1.00 24.32 ATOM 1900 HN THR 121 -0.801 -27.452 18.843 1.00 39.96 ATOM 1901 CA THR 121 -2.521 -26.665 19.778 1.00 61.41 ATOM 1902 HA THR 121 -3.397 -27.202 20.112 1.00 21.22 ATOM 1903 CB THR 121 -1.670 -26.316 21.013 1.00 25.43 ATOM 1904 HB THR 121 -2.171 -25.544 21.586 1.00 64.33 ATOM 1905 OG1 THR 121 -0.386 -25.832 20.603 1.00 52.21 ATOM 1906 HG1 THR 121 -0.454 -24.906 20.356 1.00 41.21 ATOM 1907 CG2 THR 121 -1.495 -27.532 21.911 1.00 62.10 ATOM 1908 HG21 THR 121 -2.108 -27.414 22.792 1.00 64.11 ATOM 1909 HG22 THR 121 -0.473 -27.619 22.201 1.00 51.42 ATOM 1910 HG23 THR 121 -1.790 -28.436 21.394 1.00 74.41 ATOM 1911 C THR 121 -2.978 -25.374 19.109 1.00 60.22 ATOM 1912 O THR 121 -3.963 -24.764 19.524 1.00 42.02 ATOM 1913 N ALA 122 -2.257 -24.964 18.071 1.00 42.33 ATOM 1914 HN ALA 122 -1.453 -25.455 17.815 1.00 39.96 ATOM 1915 CA ALA 122 -2.591 -23.746 17.342 1.00 24.04 ATOM 1916 HA ALA 122 -2.525 -22.913 18.029 1.00 73.34 ATOM 1917 CB ALA 122 -1.589 -23.510 16.222 1.00 4.41 ATOM 1918 HB1 ALA 122 -0.587 -23.547 16.625 1.00 2.30 ATOM 1919 HB2 ALA 122 -1.762 -22.538 15.784 1.00 32.23 ATOM 1920 HB3 ALA 122 -1.698 -24.270 15.462 1.00 75.32 ATOM 1921 C ALA 122 -4.007 -23.812 16.782 1.00 34.32 ATOM 1922 O ALA 122 -4.679 -22.790 16.645 1.00 51.24 ATOM 1923 N ASP 123 -4.455 -25.021 16.460 1.00 11.21 ATOM 1924 HN ASP 123 -3.871 -25.806 16.568 1.00 39.96 ATOM 1925 CA ASP 123 -5.793 -25.220 15.915 1.00 61.32 ATOM 1926 HA ASP 123 -5.962 -24.460 15.159 1.00 62.25 ATOM 1927 CB ASP 123 -5.903 -26.603 15.270 1.00 31.15 ATOM 1928 HB1 ASP 123 -6.174 -27.342 16.014 1.00 39.96 ATOM 1929 HB2 ASP 123 -4.946 -26.872 14.844 1.00 50.01 ATOM 1930 CG ASP 123 -6.931 -26.642 14.157 1.00 62.44 ATOM 1931 OD1 ASP 123 -8.106 -26.953 14.444 1.00 50.02 ATOM 1932 OD2 ASP 123 -6.560 -26.362 12.998 1.00 51.22 ATOM 1933 C ASP 123 -6.851 -25.066 17.002 1.00 35.44 ATOM 1934 O ASP 123 -7.998 -24.716 16.721 1.00 60.21 ATOM 1935 N ILE 124 -6.460 -25.331 18.244 1.00 24.20 ATOM 1936 HN ILE 124 -5.534 -25.587 18.411 1.00 39.96 ATOM 1937 CA ILE 124 -7.375 -25.222 19.373 1.00 21.01 ATOM 1938 HA ILE 124 -8.265 -25.798 19.142 1.00 23.54 ATOM 1939 CB ILE 124 -6.752 -25.794 20.660 1.00 2.54 ATOM 1940 HB ILE 124 -5.920 -25.166 20.949 1.00 0.23 ATOM 1941 CG1 ILE 124 -6.239 -27.215 20.417 1.00 11.55 ATOM 1942 HG11 ILE 124 -5.536 -27.220 19.600 1.00 39.96 ATOM 1943 HG12 ILE 124 -7.070 -27.858 20.168 1.00 15.00 ATOM 1944 CG2 ILE 124 -7.767 -25.777 21.793 1.00 75.31 ATOM 1945 HG21 ILE 124 -7.318 -26.163 22.696 1.00 75.25 ATOM 1946 HG22 ILE 124 -8.617 -26.389 21.530 1.00 12.30 ATOM 1947 HG23 ILE 124 -8.101 -24.767 21.979 1.00 40.43 ATOM 1948 CD1 ILE 124 -5.536 -27.816 21.614 1.00 32.12 ATOM 1949 HD11 ILE 124 -6.255 -28.020 22.393 1.00 41.24 ATOM 1950 HD12 ILE 124 -4.789 -27.127 21.984 1.00 73.12 ATOM 1951 HD13 ILE 124 -5.057 -28.738 21.320 1.00 45.15 ATOM 1952 C ILE 124 -7.777 -23.771 19.617 1.00 64.32 ATOM 1953 O ILE 124 -8.910 -23.486 20.001 1.00 21.13 ATOM 1954 N GLY 125 -6.839 -22.857 19.388 1.00 2.34 ATOM 1955 HN GLY 125 -5.940 -23.126 19.098 1.00 39.96 ATOM 1956 CA GLY 125 -7.115 -21.446 19.587 1.00 43.23 ATOM 1957 HA1 GLY 125 -8.157 -21.235 19.376 1.00 39.96 ATOM 1958 HA2 GLY 125 -6.506 -20.880 18.897 1.00 10.23 ATOM 1959 C GLY 125 -6.797 -20.985 20.995 1.00 21.34 ATOM 1960 O GLY 125 -7.699 -20.670 21.772 1.00 34.22 ATOM 1961 N LEU 126 -5.511 -20.947 21.328 1.00 73.33 ATOM 1962 HN LEU 126 -4.832 -21.206 20.659 1.00 39.96 ATOM 1963 HA LEU 126 -5.640 -21.078 23.387 1.00 11.31 ATOM 1964 CB LEU 126 -3.584 -20.808 22.838 1.00 73.10 ATOM 1965 HB1 LEU 126 -3.230 -20.260 23.706 1.00 39.96 ATOM 1966 HB2 LEU 126 -3.067 -20.427 21.967 1.00 70.40 ATOM 1967 CG LEU 126 -3.199 -22.276 23.020 1.00 22.54 ATOM 1968 HG LEU 126 -3.557 -22.843 22.173 1.00 60.24 ATOM 1969 CD1 LEU 126 -1.687 -22.428 23.080 1.00 3.25 ATOM 1970 HD11 LEU 126 -1.314 -22.095 24.040 1.00 15.51 ATOM 1971 HD12 LEU 126 -1.227 -21.839 22.296 1.00 43.31 ATOM 1972 HD13 LEU 126 -1.430 -23.463 22.931 1.00 64.43 ATOM 1973 CD2 LEU 126 -3.844 -22.845 24.276 1.00 61.32 ATOM 1974 HD21 LEU 126 -4.917 -22.836 24.172 1.00 43.11 ATOM 1975 HD22 LEU 126 -3.561 -22.252 25.134 1.00 31.54 ATOM 1976 HD23 LEU 126 -3.514 -23.865 24.424 1.00 75.23 ATOM 1977 CA LEU 126 -5.076 -20.523 22.654 1.00 60.40 ATOM 1978 C LEU 126 -5.352 -19.039 22.869 1.00 14.12 ATOM 1979 OT1 LEU 126 -4.887 -18.221 22.044 1.00 39.96 ATOM 1980 OT2 LEU 126 -6.032 -18.701 23.862 1.00 39.96 ATOM 1981 OH2 TIP3 1 -3.103 -44.494 13.933 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -2.963 -45.085 13.194 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -2.935 -43.621 13.577 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -6.903 -42.420 10.907 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -7.144 -41.758 11.555 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -7.101 -43.254 11.332 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -12.332 -43.524 14.890 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -12.644 -42.742 15.346 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -12.982 -43.677 14.204 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -14.093 -41.452 15.654 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -14.085 -41.588 14.706 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -15.009 -41.570 15.906 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -0.548 -41.813 15.510 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -0.597 -42.768 15.473 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -1.374 -41.545 15.912 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -9.569 -42.239 14.386 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -9.482 -41.413 14.861 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -10.433 -42.569 14.635 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -8.948 -45.279 14.299 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -9.294 -45.660 15.105 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -9.148 -44.345 14.370 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -11.318 -48.190 16.359 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -11.614 -48.356 15.464 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -10.387 -48.410 16.349 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -6.698 -42.817 14.249 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -7.599 -42.634 13.981 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -6.664 -42.558 15.170 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -1.003 -44.772 15.453 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -1.855 -44.534 15.086 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -0.413 -44.789 14.700 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -11.026 -40.838 12.127 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -10.663 -39.983 11.894 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -10.494 -41.130 12.868 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -7.482 -44.739 11.828 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -7.908 -44.966 12.654 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -6.901 -45.477 11.645 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -4.823 -40.187 14.297 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -5.425 -40.742 13.802 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -4.542 -39.520 13.671 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -13.242 -40.343 18.112 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -12.474 -40.802 18.453 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -13.263 -40.569 17.182 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -11.277 -45.482 16.879 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -11.605 -45.211 16.021 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -11.125 -46.423 16.791 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -5.542 -45.566 14.262 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -4.797 -44.978 14.142 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -6.299 -44.984 14.325 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -8.133 -46.772 17.518 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -7.180 -46.688 17.490 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -8.293 -47.483 18.137 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -5.087 -47.475 16.161 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -5.368 -46.766 15.583 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -4.144 -47.548 16.010 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -0.837 -39.283 10.493 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -0.859 -39.098 11.432 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -0.147 -38.714 10.152 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -1.274 -39.716 13.415 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -1.761 -40.451 13.044 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -0.725 -40.109 14.093 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -2.823 -43.926 18.053 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -3.689 -44.031 18.447 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -2.447 -43.167 18.500 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -2.882 -41.953 12.646 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -3.530 -41.628 13.271 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -3.400 -42.393 11.971 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -2.485 -47.125 15.593 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -1.902 -47.859 15.784 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -1.921 -46.353 15.639 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -9.180 -38.545 11.120 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -9.637 -38.016 10.466 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -9.017 -37.942 11.845 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -6.853 -39.667 12.065 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -7.757 -39.502 11.799 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -6.424 -38.814 11.999 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -4.248 -38.097 12.360 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -4.430 -37.181 12.149 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -4.072 -38.507 11.513 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -7.351 -46.776 25.109 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -7.262 -45.832 24.977 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -7.990 -47.051 24.451 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -4.712 -44.582 26.830 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -5.153 -45.302 27.280 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -4.725 -43.861 27.460 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -7.601 -39.477 27.042 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -6.981 -40.154 26.769 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -7.809 -39.695 27.950 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -7.554 -44.175 24.152 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -7.850 -44.497 23.301 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -7.878 -43.275 24.194 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -3.103 -44.494 32.789 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -2.963 -45.085 32.050 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -2.935 -43.621 32.433 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -8.630 -47.532 22.561 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -9.342 -46.997 22.210 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -7.939 -47.476 21.901 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -8.576 -49.074 19.600 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -7.875 -49.052 20.251 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -8.274 -49.702 18.944 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -1.261 -48.154 30.855 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -1.913 -47.459 30.944 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -0.796 -47.944 30.045 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -5.224 -47.322 23.513 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -5.956 -47.094 24.086 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -4.777 -48.036 23.968 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -6.903 -42.420 29.763 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -7.144 -41.758 30.411 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -7.101 -43.254 30.188 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -6.353 -48.160 21.198 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -5.774 -48.010 21.945 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -5.939 -47.689 20.475 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -8.627 -41.423 24.633 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -8.153 -41.128 25.411 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -9.190 -40.685 24.400 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -9.155 -38.467 23.048 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -9.230 -38.588 22.102 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -9.122 -37.517 23.167 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -4.876 -47.127 18.828 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -4.834 -47.350 17.898 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -4.027 -46.729 19.018 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -10.468 -45.463 21.918 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -11.212 -45.970 21.595 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -10.602 -45.414 22.864 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -3.318 -46.330 30.704 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -2.676 -45.873 30.161 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -4.148 -46.217 30.242 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -6.698 -42.817 33.105 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -7.599 -42.634 32.837 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -6.664 -42.558 34.026 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -1.003 -44.772 34.309 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -1.855 -44.534 33.942 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -0.413 -44.789 33.556 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -5.511 -46.978 28.959 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -6.439 -47.210 28.932 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -5.060 -47.755 28.629 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -11.541 -44.987 24.668 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -11.782 -44.062 24.710 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -12.281 -45.446 25.064 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -12.857 -39.965 24.213 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -13.807 -39.860 24.265 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -12.506 -39.145 24.558 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -7.482 -44.739 30.684 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -7.908 -44.966 31.510 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -6.901 -45.477 30.501 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -4.823 -40.187 33.153 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -5.425 -40.742 32.658 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -4.542 -39.520 32.527 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -4.413 -45.137 21.984 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -4.690 -45.865 22.540 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -3.486 -45.018 22.190 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -11.188 -42.698 18.205 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -10.949 -43.446 17.657 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -11.457 -43.086 19.037 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -12.251 -43.128 20.661 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -12.104 -43.648 21.451 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -12.254 -42.221 20.967 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -12.175 -40.387 21.392 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -12.014 -39.587 20.891 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -12.372 -40.080 22.277 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -6.665 -41.963 35.697 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -7.016 -42.819 35.940 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -5.939 -41.820 36.304 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -13.591 -45.108 18.434 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -13.527 -45.902 18.965 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -12.938 -45.227 17.745 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -5.542 -45.566 33.118 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -4.797 -44.978 32.998 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -6.299 -44.984 33.181 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -12.442 -47.136 20.740 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -12.901 -47.620 21.426 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -12.187 -47.804 20.104 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -1.981 -46.538 18.448 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -2.254 -46.963 17.635 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -1.941 -45.607 18.231 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -11.473 -38.202 20.004 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -10.540 -38.044 20.148 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -11.737 -37.527 19.379 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -2.823 -43.926 36.909 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -3.689 -44.031 37.303 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -2.447 -43.167 37.356 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -1.522 -45.669 22.423 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -0.672 -45.248 22.551 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -1.517 -46.409 23.031 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -1.128 -47.616 24.247 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -1.854 -48.095 24.645 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -0.547 -47.410 24.979 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -1.369 -44.831 29.195 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -0.535 -45.209 28.914 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -1.257 -43.888 29.076 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -0.860 -47.715 20.638 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -1.381 -47.358 19.919 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -0.893 -47.040 21.316 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -2.485 -47.125 34.449 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -1.902 -47.859 34.640 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -1.921 -46.353 34.495 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -9.449 -39.890 34.682 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -9.264 -40.224 35.560 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -8.602 -39.581 34.360 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -7.104 -38.605 33.926 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -6.427 -39.237 33.686 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -6.782 -38.203 34.734 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -9.180 -38.545 29.976 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -9.637 -38.016 29.322 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -9.017 -37.942 30.701 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -6.853 -39.667 30.921 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -7.757 -39.502 30.655 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -6.424 -38.814 30.855 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -7.554 -44.175 43.008 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -7.850 -44.497 42.157 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -7.878 -43.275 43.050 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -5.948 -40.961 44.659 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -5.523 -41.668 44.174 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -5.631 -40.160 44.242 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -4.789 -43.060 43.168 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -5.046 -43.750 42.556 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -4.718 -43.503 44.013 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -8.627 -41.423 43.489 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -8.153 -41.128 44.267 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -9.190 -40.685 43.256 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -9.155 -38.467 41.904 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -9.230 -38.588 40.958 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -9.122 -37.517 42.023 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -6.384 -39.387 41.656 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -7.319 -39.287 41.835 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -6.104 -40.096 42.234 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -4.876 -47.127 37.684 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -4.834 -47.350 36.754 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -4.027 -46.729 37.874 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -8.342 -44.004 39.799 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -8.637 -43.178 40.181 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -9.045 -44.624 39.995 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -5.279 -43.810 38.614 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -4.926 -44.190 39.418 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -6.228 -43.903 38.700 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -4.413 -45.137 40.840 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -4.690 -45.865 41.396 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -3.486 -45.018 41.046 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -9.513 -41.430 40.266 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -10.330 -40.933 40.319 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -8.984 -40.955 39.626 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -9.150 -40.835 37.199 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -9.794 -41.466 37.521 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -8.388 -41.366 36.967 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -8.239 -44.061 37.026 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -8.507 -43.881 37.927 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -8.445 -44.987 36.895 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -1.981 -46.538 37.304 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -2.254 -46.963 36.491 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -1.941 -45.607 37.087 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -0.837 -39.283 48.205 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -0.859 -39.098 49.144 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -0.147 -38.714 47.864 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -1.522 -45.669 41.279 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -0.672 -45.248 41.407 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -1.517 -46.409 41.887 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -1.128 -47.616 43.103 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -1.854 -48.095 43.501 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -0.547 -47.410 43.835 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -0.860 -47.715 39.494 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -1.381 -47.358 38.775 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -0.893 -47.040 40.172 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -4.099 -39.193 43.777 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -3.446 -39.540 43.169 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -3.588 -38.704 44.423 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -8.828 -38.976 39.105 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -7.962 -38.610 38.927 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -9.075 -39.416 38.292 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -7.351 -27.920 6.253 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -7.262 -26.976 6.121 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -7.990 -28.195 5.595 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -8.418 -28.665 9.672 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -8.456 -29.311 10.377 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -8.741 -29.131 8.901 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -4.712 -25.726 7.974 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -5.153 -26.446 8.424 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -4.725 -25.005 8.604 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -7.601 -20.621 8.186 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -6.981 -21.298 7.913 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -7.809 -20.839 9.094 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -10.029 -26.232 10.078 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -9.725 -26.918 9.484 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -9.307 -26.114 10.696 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -1.366 -34.631 10.939 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -1.317 -34.021 11.675 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -0.940 -34.170 10.216 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -6.888 -31.838 10.406 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -6.745 -32.785 10.426 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -6.994 -31.631 9.477 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -0.974 -33.153 13.175 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -1.663 -32.495 13.080 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -0.959 -33.350 14.112 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -7.554 -25.319 5.296 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -7.850 -25.641 4.445 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -7.878 -24.419 5.338 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -12.354 -27.143 12.040 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -13.094 -26.545 12.143 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -11.640 -26.589 11.724 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -13.946 -25.179 12.827 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -13.952 -24.300 12.449 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -14.800 -25.262 13.252 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -4.200 -23.886 10.322 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -5.142 -23.828 10.483 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -3.924 -22.980 10.185 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -3.900 -35.600 11.739 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -4.636 -34.989 11.701 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -3.216 -35.185 11.213 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -5.948 -22.105 6.947 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -5.523 -22.812 6.462 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -5.631 -21.304 6.530 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -1.261 -29.298 11.999 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -1.913 -28.603 12.088 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -0.796 -29.088 11.189 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -5.327 -30.292 13.725 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -5.247 -29.529 14.297 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -5.928 -30.013 13.034 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -12.212 -24.408 9.221 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -12.307 -24.986 8.464 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -11.483 -24.779 9.717 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -13.212 -29.067 10.173 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -12.647 -28.946 9.410 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -12.893 -28.430 10.812 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -12.332 -24.668 14.890 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -12.644 -23.886 15.346 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -12.982 -24.821 14.204 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -15.412 -28.470 14.119 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -15.342 -27.819 14.817 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -16.303 -28.367 13.784 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -14.093 -22.596 15.654 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -14.085 -22.732 14.706 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -15.009 -22.714 15.906 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -8.965 -36.888 13.357 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -8.545 -37.303 14.110 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -9.898 -37.066 13.474 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -5.639 -33.132 14.211 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -6.153 -33.258 15.008 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -5.794 -32.220 13.966 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -13.537 -31.644 11.078 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -14.179 -31.685 11.787 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -13.500 -30.718 10.840 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -8.902 -30.832 16.295 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -9.465 -31.536 16.615 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -8.076 -30.952 16.762 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -7.000 -31.561 7.621 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -7.195 -30.956 6.906 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -6.818 -32.395 7.186 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -15.668 -26.615 16.225 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -14.935 -26.361 16.786 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -16.448 -26.411 16.740 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -9.638 -31.208 8.963 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -9.074 -31.755 8.416 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -9.786 -31.730 9.752 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -11.012 -32.820 11.377 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -11.847 -32.366 11.487 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -10.488 -32.544 12.129 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -11.318 -29.334 16.359 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -11.614 -29.500 15.464 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -10.387 -29.554 16.349 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -11.026 -21.982 12.127 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -10.663 -21.127 11.894 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -10.494 -22.274 12.868 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -7.966 -34.357 12.594 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -7.268 -34.283 13.244 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -8.347 -35.221 12.749 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -9.446 -31.991 13.711 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -9.327 -31.417 14.468 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -8.791 -32.679 13.826 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -3.242 -34.084 14.546 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -4.158 -33.821 14.458 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -2.906 -34.087 13.649 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -4.640 -30.333 8.642 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -5.437 -30.748 8.313 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -4.195 -31.024 9.133 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -3.553 -21.077 10.264 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -3.709 -20.399 9.607 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -2.621 -21.005 10.467 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -13.242 -21.487 18.112 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -12.474 -21.946 18.453 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -13.263 -21.713 17.182 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -13.153 -30.387 14.240 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -13.771 -29.712 14.521 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -12.809 -30.066 13.407 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -12.813 -33.032 15.323 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -12.663 -33.761 14.720 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -12.811 -32.255 14.764 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -6.403 -31.408 18.083 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -6.211 -32.339 17.972 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -5.546 -30.983 18.073 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -11.595 -37.206 13.247 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -11.693 -36.259 13.141 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -12.338 -37.578 12.771 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -10.331 -32.884 16.810 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -10.567 -33.104 17.712 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -11.114 -33.091 16.301 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -7.615 -33.757 15.886 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -8.563 -33.725 16.018 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -7.303 -34.382 16.540 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -11.373 -37.912 15.918 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -10.661 -38.552 15.904 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -11.474 -37.645 15.004 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -11.020 -36.229 17.972 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -11.151 -36.705 17.151 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -11.619 -35.485 17.916 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -0.837 -20.427 10.493 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -0.859 -20.242 11.432 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -0.147 -19.858 10.152 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -1.128 -28.760 5.391 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -1.854 -29.239 5.789 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -0.547 -28.554 6.123 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -1.369 -25.975 10.339 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -0.535 -26.353 10.058 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -1.257 -25.032 10.220 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -3.019 -32.075 9.852 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -2.086 -31.863 9.818 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -3.254 -31.973 10.775 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -2.990 -31.338 12.628 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -3.833 -31.070 12.994 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -2.547 -30.516 12.417 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -13.760 -22.433 12.867 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -14.185 -21.624 12.584 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -12.855 -22.348 12.565 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -9.449 -21.034 15.826 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -9.264 -21.368 16.704 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -8.602 -20.725 15.504 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -7.104 -19.749 15.070 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -6.427 -20.381 14.830 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -6.782 -19.347 15.878 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -2.186 -37.159 14.150 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -2.999 -36.834 13.762 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -1.953 -37.919 13.617 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -9.180 -19.689 11.120 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -9.637 -19.160 10.466 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -9.017 -19.086 11.845 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -6.853 -20.811 12.065 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -7.757 -20.646 11.799 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -6.424 -19.958 11.999 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -4.248 -19.241 12.360 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -4.430 -18.325 12.149 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -4.072 -19.651 11.513 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -14.499 -37.211 17.348 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -13.600 -37.485 17.163 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -14.885 -37.954 17.812 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -8.418 -28.665 28.528 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -8.456 -29.311 29.233 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -8.741 -29.131 27.757 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -7.601 -20.621 27.042 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -6.981 -21.298 26.769 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -7.809 -20.839 27.950 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -10.029 -26.232 28.934 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -9.725 -26.918 28.340 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -9.307 -26.114 29.552 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -11.957 -29.790 26.512 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -11.341 -30.316 27.021 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -12.543 -30.430 26.108 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -12.354 -27.143 30.896 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -13.094 -26.545 30.999 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -11.640 -26.589 30.580 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -10.897 -37.513 28.061 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -11.014 -38.462 28.007 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -11.752 -37.181 28.334 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -13.579 -27.836 25.396 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -13.909 -28.206 24.577 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -12.991 -28.506 25.742 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -12.212 -24.408 28.077 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -12.307 -24.986 27.320 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -11.483 -24.779 28.573 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -6.903 -23.564 29.763 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -7.144 -22.902 30.411 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -7.101 -24.398 30.188 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -12.332 -24.668 33.746 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -12.644 -23.886 34.202 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -12.982 -24.821 33.060 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -14.589 -28.766 22.985 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -14.881 -27.998 22.494 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -15.263 -29.426 22.822 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -9.569 -23.383 33.242 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -9.482 -22.557 33.717 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -10.433 -23.713 33.491 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -8.965 -36.888 32.213 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -8.545 -37.303 32.966 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -9.898 -37.066 32.330 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -9.303 -34.395 19.498 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -9.557 -34.376 20.421 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -9.560 -35.267 19.197 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -8.004 -31.007 23.663 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -8.413 -30.192 23.371 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -7.284 -31.147 23.048 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -12.421 -33.950 18.599 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -12.852 -34.395 19.329 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -13.139 -33.578 18.087 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -10.958 -33.996 25.932 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -11.869 -33.939 26.221 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -10.453 -34.056 26.743 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -12.477 -32.367 22.415 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -11.545 -32.238 22.593 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -12.692 -31.697 21.766 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -3.266 -19.089 35.473 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -3.066 -18.665 34.638 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -2.610 -18.746 36.080 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -9.638 -31.208 27.819 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -9.074 -31.755 27.272 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -9.786 -31.730 28.608 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -11.012 -32.820 30.233 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -11.847 -32.366 30.343 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -10.488 -32.544 30.985 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -11.318 -29.334 35.215 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -11.614 -29.500 34.320 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -10.387 -29.554 35.205 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -12.968 -23.794 25.092 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -12.441 -23.021 24.891 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -13.848 -23.569 24.790 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -11.541 -26.131 24.668 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -11.782 -25.206 24.710 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -12.281 -26.590 25.064 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -11.026 -21.982 30.983 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -10.663 -21.127 30.750 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -10.494 -22.274 31.724 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -12.857 -21.109 24.213 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -13.807 -21.004 24.265 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -12.506 -20.289 24.558 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -4.823 -21.331 33.153 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -5.425 -21.886 32.658 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -4.542 -20.664 32.527 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -15.798 -27.019 21.171 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -16.484 -26.667 21.738 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -15.275 -26.256 20.925 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -9.982 -32.977 23.382 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -9.170 -32.473 23.428 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -10.227 -33.122 24.296 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -9.446 -31.991 32.567 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -9.327 -31.417 33.324 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -8.791 -32.679 32.682 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -12.175 -21.531 21.392 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -12.014 -20.731 20.891 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -12.372 -21.224 22.277 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -15.182 -24.405 20.068 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -14.590 -23.706 20.344 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -14.723 -24.838 19.349 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -6.665 -23.107 35.697 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -7.016 -23.963 35.940 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -5.939 -22.964 36.304 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -13.591 -26.252 18.434 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -13.527 -27.046 18.965 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -12.938 -26.371 17.745 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -11.277 -26.626 35.735 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -11.605 -26.355 34.877 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -11.125 -27.567 35.647 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -12.442 -28.280 20.740 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -12.901 -28.764 21.426 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -12.187 -28.948 20.104 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -13.153 -30.387 33.096 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -13.771 -29.712 33.377 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -12.809 -30.066 32.263 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -11.371 -30.037 19.003 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -11.551 -30.191 18.075 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -10.420 -29.929 19.047 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -8.133 -27.916 36.374 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -7.180 -27.832 36.346 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -8.293 -28.627 36.993 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -12.813 -33.032 34.179 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -12.663 -33.761 33.576 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -12.811 -32.255 33.620 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -12.401 -34.662 31.671 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -11.865 -34.211 31.019 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -13.253 -34.770 31.249 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -10.819 -29.223 31.911 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -10.068 -29.379 31.338 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -11.158 -28.371 31.635 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -11.595 -37.206 32.103 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -11.693 -36.259 31.997 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -12.338 -37.578 31.627 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -10.331 -32.884 35.666 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -10.567 -33.104 36.568 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -11.114 -33.091 35.157 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -11.373 -37.912 34.774 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -10.661 -38.552 34.760 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -11.474 -37.645 33.860 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -11.020 -36.229 36.828 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -11.151 -36.705 36.007 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -11.619 -35.485 36.772 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -11.473 -19.346 20.004 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -10.540 -19.188 20.148 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -11.737 -18.671 19.379 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -2.823 -25.070 36.909 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -3.689 -25.175 37.303 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -2.447 -24.311 37.356 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -9.449 -21.034 34.682 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -9.264 -21.368 35.560 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -8.602 -20.725 34.360 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -7.104 -19.749 33.926 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -6.427 -20.381 33.686 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -6.782 -19.347 34.734 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -9.180 -19.689 29.976 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -9.637 -19.160 29.322 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -9.017 -19.086 30.701 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -6.853 -20.811 30.921 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -7.757 -20.646 30.655 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -6.424 -19.958 30.855 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -4.248 -19.241 31.216 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -4.430 -18.325 31.005 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -4.072 -19.651 30.369 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -12.265 -21.374 28.184 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -12.052 -22.262 27.897 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -12.200 -21.408 29.139 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -11.850 -37.149 24.964 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -10.976 -36.761 24.934 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -11.986 -37.364 25.887 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -10.706 -35.069 21.854 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -10.528 -35.715 22.537 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -10.760 -34.235 22.321 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -15.874 -20.410 18.877 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -16.142 -20.123 19.750 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -15.103 -20.956 19.029 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -6.077 -37.879 36.386 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -6.001 -38.305 37.240 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -5.184 -37.865 36.044 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -2.901 -21.806 35.079 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -3.683 -21.992 34.559 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -2.973 -20.877 35.296 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -6.011 -33.606 43.791 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -5.365 -33.935 44.416 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -5.501 -33.088 43.168 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -4.247 -34.315 45.772 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -4.462 -35.081 46.304 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -3.591 -33.843 46.285 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -8.576 -30.218 38.456 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -7.875 -30.196 39.107 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -8.274 -30.846 37.800 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -6.353 -29.304 40.054 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -5.774 -29.154 40.801 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -5.939 -28.833 39.331 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -1.465 -23.188 38.244 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -1.392 -22.249 38.414 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -0.560 -23.493 38.187 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -4.876 -28.271 37.684 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -4.834 -28.494 36.754 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -4.027 -27.873 37.874 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -9.303 -34.395 38.354 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -9.557 -34.376 39.277 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -9.560 -35.267 38.053 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -12.421 -33.950 37.455 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -12.852 -34.395 38.185 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -13.139 -33.578 36.943 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -6.570 -33.793 38.973 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -7.508 -33.681 38.822 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -6.273 -32.936 39.279 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -5.852 -31.926 40.634 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -4.960 -32.063 40.953 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -5.795 -31.135 40.097 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -2.671 -22.930 40.793 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -3.044 -23.756 41.103 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -2.394 -23.113 39.896 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -5.279 -24.954 38.614 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -4.926 -25.334 39.418 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -6.228 -25.047 38.700 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -0.775 -20.474 38.815 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -0.032 -19.888 38.675 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -1.470 -19.906 39.148 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -4.413 -26.281 40.840 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -4.690 -27.009 41.396 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -3.486 -26.162 41.046 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -7.182 -34.705 41.403 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -6.962 -34.233 40.600 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -6.624 -34.310 42.074 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -4.546 -22.162 37.433 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -4.263 -22.956 37.886 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -3.806 -21.929 36.872 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -8.239 -25.205 37.026 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -8.507 -25.025 37.927 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -8.445 -26.131 36.895 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -11.371 -30.037 37.859 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -11.551 -30.191 36.931 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -10.420 -29.929 37.903 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -1.522 -26.813 41.279 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -0.672 -26.392 41.407 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -1.517 -27.553 41.887 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -1.128 -28.760 43.103 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -1.854 -29.239 43.501 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -0.547 -28.554 43.835 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -0.860 -28.859 39.494 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -1.381 -28.502 38.775 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -0.893 -28.184 40.172 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -3.341 -30.239 43.666 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -3.491 -31.184 43.646 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -3.695 -29.958 44.510 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -3.631 -32.656 42.128 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -3.351 -33.563 42.253 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -2.872 -32.222 41.739 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -3.017 -35.393 42.177 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -2.835 -35.842 43.002 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -3.617 -35.978 41.713 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -3.614 -37.603 46.297 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -3.010 -37.055 45.796 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -4.483 -37.283 46.057 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -1.887 -36.464 44.631 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -1.275 -36.978 44.104 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -1.504 -35.586 44.654 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -6.293 -37.119 45.469 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -6.217 -37.024 44.520 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -6.569 -38.027 45.598 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -0.548 -4.101 -3.346 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -0.597 -5.056 -3.383 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -1.374 -3.833 -2.944 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -3.266 -0.233 -2.239 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -3.066 0.191 -3.074 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -2.610 0.110 -1.632 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -0.837 -1.571 -8.363 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -0.859 -1.386 -7.424 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -0.147 -1.002 -8.704 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -1.274 -2.004 -5.441 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -1.761 -2.739 -5.812 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -0.725 -2.397 -4.763 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -2.901 -2.950 -2.633 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -3.683 -3.136 -3.153 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -2.973 -2.021 -2.416 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -3.900 -16.744 11.739 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -4.636 -16.133 11.701 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -3.216 -16.329 11.213 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -1.465 -4.332 0.532 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -1.392 -3.393 0.702 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -0.560 -4.637 0.475 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -8.965 -18.032 13.357 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -8.545 -18.447 14.110 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -9.898 -18.210 13.474 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -0.775 -1.618 1.103 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -0.032 -1.032 0.963 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -1.470 -1.050 1.436 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -3.242 -15.228 14.546 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -4.158 -14.965 14.458 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -2.906 -15.231 13.649 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -6.403 -12.552 18.083 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -6.211 -13.483 17.972 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -5.546 -12.127 18.073 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -7.615 -14.901 15.886 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -8.563 -14.869 16.018 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -7.303 -15.526 16.540 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -5.981 -16.267 17.891 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -6.078 -17.219 17.885 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -6.303 -15.998 18.752 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -11.373 -19.056 15.918 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -10.661 -19.696 15.904 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -11.474 -18.789 15.004 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -11.020 -17.373 17.972 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -11.151 -17.849 17.151 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -11.619 -16.629 17.916 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -0.707 -18.502 17.982 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -0.357 -19.156 17.376 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -0.560 -17.665 17.542 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -1.187 -16.393 16.331 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -2.104 -16.122 16.295 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -1.064 -16.928 15.547 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -2.186 -18.303 14.150 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -2.999 -17.978 13.762 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -1.953 -19.063 13.617 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -1.366 -15.775 29.795 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -1.317 -15.165 30.531 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -0.940 -15.314 29.072 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -6.888 -12.982 29.262 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -6.745 -13.929 29.282 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -6.994 -12.775 28.333 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -6.011 -14.750 24.935 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -5.365 -15.079 25.560 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -5.501 -14.232 24.312 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -0.974 -14.297 32.031 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -1.663 -13.639 31.936 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -0.959 -14.494 32.968 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -4.247 -15.459 26.916 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -4.462 -16.225 27.448 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -3.591 -14.987 27.429 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -3.900 -16.744 30.595 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -4.636 -16.133 30.557 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -3.216 -16.329 30.069 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -10.897 -18.657 28.061 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -11.014 -19.606 28.007 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -11.752 -18.325 28.334 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -6.353 -10.448 21.198 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -5.774 -10.298 21.945 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -5.939 -9.977 20.475 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -9.303 -15.539 19.498 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -9.557 -15.520 20.421 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -9.560 -16.411 19.197 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -8.004 -12.151 23.663 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -8.413 -11.336 23.371 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -7.284 -12.291 23.048 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -7.000 -12.705 26.477 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -7.195 -12.100 25.762 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -6.818 -13.539 26.042 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -12.421 -15.094 18.599 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -12.852 -15.539 19.329 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -13.139 -14.722 18.087 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -10.958 -15.140 25.932 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -11.869 -15.083 26.221 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -10.453 -15.200 26.743 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -6.553 -15.905 29.196 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -7.230 -15.774 29.860 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -7.039 -16.060 28.386 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -6.570 -14.937 20.117 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -7.508 -14.825 19.966 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -6.273 -14.080 20.423 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -5.852 -13.070 21.778 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -4.960 -13.207 22.097 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -5.795 -12.279 21.241 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -0.967 -12.860 21.472 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -1.521 -13.256 20.800 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -0.866 -11.950 21.195 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -9.982 -14.121 23.382 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -9.170 -13.617 23.428 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -10.227 -14.266 24.296 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -13.441 -15.977 21.008 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -13.524 -15.088 21.354 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -12.551 -16.242 21.239 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -3.242 -15.228 33.402 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -4.158 -14.965 33.314 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -2.906 -15.231 32.505 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -2.511 -12.763 19.189 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -2.414 -12.096 18.509 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -2.651 -13.579 18.707 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -3.341 -11.383 24.810 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -3.491 -12.328 24.790 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -3.695 -11.102 25.654 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -3.263 -15.355 18.306 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -2.653 -15.727 18.943 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -4.100 -15.777 18.502 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -3.631 -13.800 23.272 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -3.351 -14.707 23.397 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -2.872 -13.366 22.883 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -3.019 -13.219 28.708 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -2.086 -13.007 28.674 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -3.254 -13.117 29.631 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -2.990 -12.482 31.484 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -3.833 -12.214 31.850 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -2.547 -11.660 31.273 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -0.707 -18.502 36.838 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -0.357 -19.156 36.232 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -0.560 -17.665 36.398 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -1.187 -16.393 35.187 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -2.104 -16.122 35.151 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -1.064 -16.928 34.403 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -1.151 -16.470 19.849 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -0.738 -17.191 19.373 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 -0.469 -15.800 19.907 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 -8.756 -16.854 27.329 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -9.431 -17.483 27.584 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -8.192 -17.338 26.726 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -3.614 -18.747 27.441 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -3.010 -18.199 26.940 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 -4.483 -18.427 27.201 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 -1.887 -17.608 25.775 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 -1.275 -18.122 25.248 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 -1.504 -16.730 25.798 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -11.850 -18.293 24.964 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -10.976 -17.905 24.934 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -11.986 -18.508 25.887 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -10.706 -16.213 21.854 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -10.528 -16.859 22.537 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -10.760 -15.379 22.321 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -6.077 -19.023 36.386 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -6.001 -19.449 37.240 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 -5.184 -19.009 36.044 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -3.263 -15.355 37.162 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -2.653 -15.727 37.799 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -4.100 -15.777 37.358 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 -1.151 -16.470 38.705 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 -0.738 -17.191 38.229 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 -0.469 -15.800 38.763 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 -1.366 3.081 -7.917 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 -1.317 3.691 -7.181 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 -0.940 3.542 -8.640 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 -0.974 4.559 -5.681 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 -1.663 5.217 -5.776 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 -0.959 4.362 -4.744 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 -3.396 6.248 -2.866 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 -3.803 6.729 -3.586 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -3.355 5.343 -3.173 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -3.242 3.628 -4.310 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -4.158 3.891 -4.398 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -2.906 3.625 -5.207 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 -0.988 7.346 -2.579 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -1.851 6.967 -2.744 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -0.384 6.607 -2.653 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -0.707 0.354 -0.874 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -0.357 -0.300 -1.480 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -0.560 1.191 -1.314 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 -1.187 2.463 -2.525 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -2.104 2.734 -2.561 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 -1.064 1.928 -3.309 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -2.186 0.553 -4.706 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -2.999 0.878 -5.094 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -1.953 -0.207 -5.239 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 -2.655 0.158 2.155 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 -3.554 0.297 2.450 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 -2.403 0.989 1.753 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -0.967 5.996 2.616 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -1.521 5.600 1.944 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -0.866 6.906 2.339 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 -1.981 10.030 -0.408 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 -2.254 9.605 -1.221 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 -1.941 10.961 -0.625 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -0.860 8.853 1.782 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -1.381 9.210 1.063 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -0.893 9.528 2.460 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 -2.511 6.093 0.333 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 -2.414 6.760 -0.347 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 -2.651 5.277 -0.149 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -3.263 3.501 -0.550 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 -2.653 3.129 0.087 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 -4.100 3.079 -0.354 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 -1.151 2.386 0.993 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -0.738 1.665 0.517 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 -0.469 3.056 1.051 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 3.730 -43.456 9.800 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 3.360 -44.258 9.431 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 4.671 -43.625 9.847 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 11.255 -39.477 8.186 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 11.875 -40.154 7.913 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 11.047 -39.695 9.094 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 4.910 -44.035 12.827 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 4.904 -43.156 12.449 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 4.056 -44.118 13.252 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 14.656 -42.742 10.322 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 13.714 -42.684 10.483 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 14.932 -41.836 10.185 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 15.753 -44.494 13.933 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 15.893 -45.085 13.194 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 15.921 -43.621 13.577 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 6.644 -43.264 9.221 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 6.549 -43.842 8.464 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 7.373 -43.635 9.717 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 11.953 -42.420 10.907 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 11.712 -41.758 11.555 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 11.755 -43.254 11.332 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 6.524 -43.524 14.890 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 6.212 -42.742 15.346 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 5.874 -43.677 14.204 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 4.763 -41.452 15.654 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 4.771 -41.588 14.706 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 3.847 -41.570 15.906 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 0.111 -42.479 9.828 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 1.057 -42.623 9.809 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -0.002 -41.695 10.365 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 9.287 -42.239 14.386 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 9.374 -41.413 14.861 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 8.423 -42.569 14.635 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 3.355 -39.678 5.973 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 3.507 -40.026 6.852 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 2.504 -40.034 5.718 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 2.609 -43.936 13.987 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 2.826 -44.297 14.847 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 1.754 -44.310 13.777 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 3.188 -45.471 16.225 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 3.921 -45.217 16.786 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 2.408 -45.267 16.740 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 15.538 -46.330 11.848 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 16.180 -45.873 11.305 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 14.708 -46.217 11.386 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 9.908 -45.279 14.299 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 9.562 -45.660 15.105 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 9.708 -44.345 14.370 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 17.853 -44.772 15.453 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 17.001 -44.534 15.086 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 18.443 -44.789 14.700 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 7.830 -40.838 12.127 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 8.193 -39.983 11.894 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 8.362 -41.130 12.868 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 5.999 -39.965 5.357 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 5.049 -39.860 5.409 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 6.350 -39.145 5.702 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 11.374 -44.739 11.828 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 10.948 -44.966 12.654 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 11.955 -45.477 11.645 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 1.806 -41.149 12.139 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 2.023 -42.081 12.108 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 2.053 -40.875 13.023 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 15.303 -39.933 10.264 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 15.147 -39.255 9.607 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 16.235 -39.861 10.467 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 0.924 -45.452 17.446 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 1.068 -46.354 17.160 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 0.151 -45.166 16.958 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 7.579 -45.482 16.879 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 7.251 -45.211 16.021 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 7.731 -46.423 16.791 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 13.314 -45.566 14.262 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 14.059 -44.978 14.142 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 12.557 -44.984 14.325 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 10.723 -46.772 17.518 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 11.676 -46.688 17.490 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 10.563 -47.483 18.137 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 13.769 -47.475 16.161 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 13.488 -46.766 15.583 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 14.712 -47.548 16.010 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 0.470 -40.092 7.513 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 0.136 -40.973 7.685 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 0.692 -39.747 8.377 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 18.019 -39.283 10.493 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 17.997 -39.098 11.432 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 18.709 -38.714 10.152 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 17.487 -44.831 10.339 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 18.321 -45.209 10.058 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 17.599 -43.888 10.220 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 15.974 -41.953 12.646 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 15.326 -41.628 13.271 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 15.456 -42.393 11.971 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 16.371 -47.125 15.593 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 16.954 -47.859 15.784 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 16.935 -46.353 15.639 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 2.142 -42.264 16.608 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 1.321 -42.089 16.148 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 1.890 -42.337 17.529 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 5.096 -41.289 12.867 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 4.671 -40.480 12.584 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 6.001 -41.204 12.565 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 9.676 -38.545 11.120 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 9.219 -38.016 10.466 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 9.839 -37.942 11.845 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 12.003 -39.667 12.065 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 11.099 -39.502 11.799 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 12.432 -38.814 11.999 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 1.913 -39.410 9.825 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 1.894 -39.835 10.682 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 2.718 -39.728 9.416 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 4.054 -40.700 8.480 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 3.835 -41.616 8.649 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 4.878 -40.560 8.946 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 6.591 -40.230 9.328 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 6.804 -41.118 9.041 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 6.656 -40.264 10.283 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 10.438 -47.521 28.528 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 10.400 -48.167 29.233 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 10.115 -47.987 27.757 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 2.806 -47.906 30.121 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 2.848 -48.532 30.845 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 3.509 -47.283 30.303 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 1.050 -47.634 26.175 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 1.264 -48.404 26.702 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 1.788 -47.545 25.572 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 11.968 -50.694 29.262 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 12.111 -51.641 29.282 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 11.862 -50.487 28.333 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 6.899 -48.646 26.512 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 7.515 -49.172 27.021 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 6.313 -49.286 26.108 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 4.910 -44.035 31.683 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 4.904 -43.156 31.305 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 4.056 -44.118 32.108 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 1.031 -44.364 22.465 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 0.759 -44.135 21.576 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 1.076 -43.526 22.925 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 10.226 -47.532 22.561 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 9.514 -46.997 22.210 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 10.917 -47.476 21.901 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 10.280 -49.074 19.600 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 10.981 -49.052 20.251 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 10.582 -49.702 18.944 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 17.595 -48.154 30.855 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 16.943 -47.459 30.944 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 18.060 -47.944 30.045 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 13.529 -49.148 32.581 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 13.609 -48.385 33.153 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 12.928 -48.869 31.890 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 5.277 -46.692 25.396 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 4.947 -47.062 24.577 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 5.865 -47.362 25.742 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 6.644 -43.264 28.077 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 6.549 -43.842 27.320 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 7.373 -43.635 28.573 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 5.644 -47.923 29.029 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 6.209 -47.802 28.266 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 5.963 -47.286 29.668 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 12.503 -48.160 21.198 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 13.082 -48.010 21.945 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 12.917 -47.689 20.475 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 3.444 -47.326 32.975 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 3.514 -46.675 33.673 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 2.553 -47.223 32.640 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 4.267 -47.622 22.985 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 3.975 -46.854 22.494 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 3.593 -48.282 22.822 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 0.360 -45.259 31.800 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 -0.141 -45.287 30.985 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 0.366 -46.165 32.110 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 15.460 -50.320 34.846 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 15.053 -49.839 34.126 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 15.501 -51.225 34.539 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 2.609 -43.936 32.843 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 2.826 -44.297 33.703 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 1.754 -44.310 32.633 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 13.217 -51.988 33.067 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 12.703 -52.114 33.864 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 13.062 -51.076 32.822 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 13.980 -47.127 18.828 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 14.022 -47.350 17.898 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 14.829 -46.729 19.018 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 5.319 -50.500 29.934 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 4.677 -50.541 30.643 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 5.356 -49.574 29.696 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 10.852 -49.863 23.663 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 10.443 -49.048 23.371 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 11.572 -50.003 23.048 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 9.954 -49.688 35.151 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 9.391 -50.392 35.471 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 10.780 -49.808 35.618 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 11.856 -50.417 26.477 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 11.661 -49.812 25.762 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 12.038 -51.251 26.042 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 3.069 -50.180 31.801 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 3.031 -49.780 32.669 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 2.578 -50.997 31.891 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 3.188 -45.471 35.081 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 3.921 -45.217 35.642 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 2.408 -45.267 35.596 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 9.218 -50.064 27.819 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 9.782 -50.611 27.272 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 9.070 -50.586 28.608 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 7.844 -51.676 30.233 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 7.009 -51.222 30.343 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 8.368 -51.400 30.985 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 8.388 -45.463 21.918 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 7.644 -45.970 21.595 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 8.254 -45.414 22.864 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 15.538 -46.330 30.704 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 16.180 -45.873 30.161 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 14.708 -46.217 30.242 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 13.004 -50.782 21.778 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 13.896 -50.919 22.097 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 13.061 -49.991 21.241 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 3.513 -46.168 27.687 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 4.258 -46.170 27.086 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 3.591 -46.992 28.169 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 0.521 -47.707 33.002 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 0.744 -48.125 33.834 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 -0.081 -48.320 32.580 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 7.538 -48.190 35.215 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 7.242 -48.356 34.320 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 8.469 -48.410 35.205 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 17.889 -50.572 21.472 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 17.335 -50.968 20.800 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 17.990 -49.662 21.195 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 13.345 -46.978 28.959 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 12.417 -47.210 28.932 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 13.796 -47.755 28.629 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 5.888 -42.650 25.092 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 6.415 -41.877 24.891 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 5.008 -42.425 24.790 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 7.315 -44.987 24.668 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 7.074 -44.062 24.710 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 6.575 -45.446 25.064 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 3.058 -45.875 21.171 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 2.372 -45.523 21.738 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 3.581 -45.112 20.925 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 10.890 -53.213 31.450 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 11.588 -53.139 32.100 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 10.509 -54.077 31.605 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 9.410 -50.847 32.567 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 9.529 -50.273 33.324 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 10.065 -51.535 32.682 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 14.216 -49.189 27.498 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 13.419 -49.604 27.169 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 14.661 -49.880 27.989 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 0.924 -45.452 36.302 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 1.068 -46.354 36.016 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 0.151 -45.166 35.814 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 5.265 -45.108 18.434 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 5.329 -45.902 18.965 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 5.918 -45.227 17.745 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 6.414 -47.136 20.740 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 5.955 -47.620 21.426 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 6.669 -47.804 20.104 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 5.703 -49.243 33.096 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 5.085 -48.568 33.377 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 6.047 -48.922 32.263 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 10.723 -46.772 36.374 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 11.676 -46.688 36.346 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 10.563 -47.483 36.993 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 16.875 -46.538 18.448 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 16.602 -46.963 17.635 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 16.915 -45.607 18.231 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 6.043 -51.888 34.179 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 6.193 -52.617 33.576 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 6.045 -51.111 33.620 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 12.453 -50.264 36.939 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 12.645 -51.195 36.828 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 13.310 -49.839 36.929 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 4.521 -50.690 36.090 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 3.754 -51.222 35.880 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 5.200 -51.000 35.491 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 8.525 -51.740 35.666 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 8.289 -51.960 36.568 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 7.742 -51.947 35.157 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 11.241 -52.613 34.742 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 10.293 -52.581 34.874 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 11.553 -53.238 35.396 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 0.951 -43.566 19.487 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 1.865 -43.487 19.760 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 0.958 -44.253 18.820 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 17.728 -47.616 24.247 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 17.002 -48.095 24.645 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 18.309 -47.410 24.979 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 17.996 -47.715 20.638 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 17.475 -47.358 19.919 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 17.963 -47.040 21.316 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 16.345 -50.475 19.189 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 16.442 -49.808 18.509 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 16.205 -51.291 18.707 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 15.515 -49.095 24.810 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 15.365 -50.040 24.790 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 15.161 -48.814 25.654 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 0.550 -47.017 28.820 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 0.734 -47.099 27.885 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 1.399 -47.141 29.244 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 17.868 -49.222 35.133 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 17.005 -49.601 34.968 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 18.472 -49.961 35.059 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 15.225 -51.512 23.272 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 15.505 -52.419 23.397 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 15.984 -51.078 22.883 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 15.837 -50.931 28.708 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 16.770 -50.719 28.674 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 15.602 -50.829 29.631 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 15.866 -50.194 31.484 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 15.023 -49.926 31.850 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 16.309 -49.372 31.273 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 11.505 -46.776 43.965 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 11.594 -45.832 43.833 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 10.866 -47.051 43.307 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 14.144 -44.582 45.686 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 13.703 -45.302 46.136 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 14.131 -43.861 46.316 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 3.730 -43.456 47.512 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 3.360 -44.258 47.143 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 4.671 -43.625 47.559 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 11.255 -39.477 45.898 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 11.875 -40.154 45.625 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 11.047 -39.695 46.806 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 8.827 -45.088 47.790 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 9.131 -45.774 47.196 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 9.549 -44.970 48.408 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 11.302 -44.175 43.008 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 11.006 -44.497 42.157 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 10.978 -43.275 43.050 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 1.031 -44.364 41.321 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 0.759 -44.135 40.432 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 1.076 -43.526 41.781 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 14.656 -42.742 48.034 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 13.714 -42.684 48.195 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 14.932 -41.836 47.897 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 14.067 -43.060 43.168 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 13.810 -43.750 42.556 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 14.138 -43.503 44.013 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 10.226 -47.532 41.417 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 9.514 -46.997 41.066 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 10.917 -47.476 40.757 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 10.280 -49.074 38.456 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 10.981 -49.052 39.107 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 10.582 -49.702 37.800 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 13.632 -47.322 42.369 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 12.900 -47.094 42.942 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 14.079 -48.036 42.824 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 5.277 -46.692 44.252 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 4.947 -47.062 43.433 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 5.865 -47.362 44.598 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 6.644 -43.264 46.933 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 6.549 -43.842 46.176 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 7.373 -43.635 47.429 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 11.953 -42.420 48.619 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 11.712 -41.758 49.267 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 11.755 -43.254 49.044 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 12.503 -48.160 40.054 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 13.082 -48.010 40.801 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 12.917 -47.689 39.331 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 0.111 -42.479 47.540 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 1.057 -42.623 47.521 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 -0.002 -41.695 48.077 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 8.388 -45.463 40.774 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 7.644 -45.970 40.451 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 8.254 -45.414 41.720 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 13.004 -50.782 40.634 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 13.896 -50.919 40.953 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 13.061 -49.991 40.097 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 17.889 -50.572 40.328 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 17.335 -50.968 39.656 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 17.990 -49.662 40.051 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 1.643 -47.788 38.535 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 2.259 -47.161 38.914 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 0.781 -47.472 38.806 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 7.315 -44.987 43.524 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 7.074 -44.062 43.566 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 6.575 -45.446 43.920 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 7.830 -40.838 49.839 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 8.193 -39.983 49.606 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 8.362 -41.130 50.580 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 1.806 -41.149 49.851 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 2.023 -42.081 49.820 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 2.053 -40.875 50.735 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 3.058 -45.875 40.027 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 2.372 -45.523 40.594 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 3.581 -45.112 39.781 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 3.674 -43.261 38.924 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 4.266 -42.562 39.200 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 4.133 -43.694 38.205 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 15.303 -39.933 47.976 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 15.147 -39.255 47.319 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 16.235 -39.861 48.179 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 1.728 -41.875 42.874 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 0.896 -41.402 42.901 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 2.274 -41.365 42.275 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 5.265 -45.108 37.290 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 5.329 -45.902 37.821 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 5.918 -45.227 36.601 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 10.617 -44.061 37.026 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 10.349 -43.881 37.927 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 10.411 -44.987 36.895 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 6.414 -47.136 39.596 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 5.955 -47.620 40.282 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 6.669 -47.804 38.960 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 7.485 -48.893 37.859 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 7.305 -49.047 36.931 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 8.436 -48.785 37.903 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 -0.400 -38.173 43.420 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 -1.047 -38.635 42.887 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 -0.045 -38.845 44.003 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 0.470 -40.092 45.225 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 0.136 -40.973 45.397 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 0.692 -39.747 46.089 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 18.019 -39.283 48.205 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 17.997 -39.098 49.144 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 18.709 -38.714 47.864 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 17.582 -39.716 51.127 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 17.095 -40.451 50.756 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 18.131 -40.109 51.805 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 17.728 -47.616 43.103 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 17.002 -48.095 43.501 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 18.309 -47.410 43.835 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 17.996 -47.715 39.494 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 17.475 -47.358 38.775 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 17.963 -47.040 40.172 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 16.345 -50.475 38.045 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 16.442 -49.808 37.365 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 16.205 -51.291 37.563 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 5.096 -41.289 50.579 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 4.671 -40.480 50.296 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 6.001 -41.204 50.277 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 2.498 -38.033 50.626 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 1.778 -37.593 50.175 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 2.132 -38.284 51.475 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 4.965 -38.433 49.656 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 4.100 -38.361 50.060 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 4.910 -37.886 48.872 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 9.676 -38.545 48.832 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 9.219 -38.016 48.178 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 9.839 -37.942 49.557 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 12.003 -39.667 49.777 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 11.099 -39.502 49.511 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 12.432 -38.814 49.711 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 14.608 -38.097 50.072 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 14.426 -37.181 49.861 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 14.784 -38.507 49.225 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 1.913 -39.410 47.537 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 1.894 -39.835 48.394 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 2.718 -39.728 47.128 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 15.590 -19.089 -2.239 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 15.790 -18.665 -3.074 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 16.246 -18.746 -1.632 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 11.752 -19.749 -3.786 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 12.429 -20.381 -4.026 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 12.074 -19.347 -2.978 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 11.505 -27.920 6.253 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 11.594 -26.976 6.121 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 10.866 -28.195 5.595 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 10.438 -28.665 9.672 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 10.400 -29.311 10.377 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 10.115 -29.131 8.901 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 14.144 -25.726 7.974 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 13.703 -26.446 8.424 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 14.131 -25.005 8.604 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 3.730 -24.600 9.800 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 3.360 -25.402 9.431 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 4.671 -24.769 9.847 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 0.340 -30.940 5.193 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 -0.108 -30.094 5.175 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 -0.221 -31.520 4.678 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 1.050 -28.778 7.319 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 1.264 -29.548 7.846 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 1.788 -28.689 6.716 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 8.827 -26.232 10.078 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 9.131 -26.918 9.484 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 9.549 -26.114 10.696 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 5.123 -33.737 7.678 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 5.166 -32.877 7.260 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 4.665 -34.289 7.045 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 1.743 -31.340 8.440 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 2.397 -31.890 8.872 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 1.767 -31.614 7.524 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 6.899 -29.790 7.656 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 7.515 -30.316 8.165 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 6.313 -30.430 7.252 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 11.302 -25.319 5.296 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 11.006 -25.641 4.445 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 10.978 -24.419 5.338 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 14.609 -34.315 8.060 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 14.394 -35.081 8.592 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 15.265 -33.843 8.573 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 3.527 -32.927 9.705 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 4.140 -32.294 10.078 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 4.039 -33.399 9.048 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 7.959 -37.513 9.205 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 7.842 -38.462 9.151 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 7.104 -37.181 9.478 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 14.067 -24.204 5.456 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 13.810 -24.894 4.844 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 14.138 -24.647 6.301 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 10.226 -28.676 3.705 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 9.514 -28.141 3.354 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 10.917 -28.620 3.045 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 13.632 -28.466 4.657 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 12.900 -28.238 5.230 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 14.079 -29.180 5.112 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 5.277 -27.836 6.540 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 4.947 -28.206 5.721 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 5.865 -28.506 6.886 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 6.644 -24.408 9.221 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 6.549 -24.986 8.464 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 7.373 -24.779 9.717 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 4.267 -28.766 4.129 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 3.975 -27.998 3.638 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 3.593 -29.426 3.966 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 0.111 -23.623 9.828 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 1.057 -23.767 9.809 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 -0.002 -22.839 10.365 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 3.355 -20.822 5.973 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 3.507 -21.170 6.852 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 2.504 -21.178 5.718 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 12.803 -20.457 1.195 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 13.178 -21.201 0.724 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 12.807 -20.727 2.113 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 5.316 -31.423 5.990 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 4.423 -31.764 5.931 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 5.767 -31.800 5.234 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 11.856 -31.561 7.621 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 11.661 -30.956 6.906 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 12.038 -32.395 7.186 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 -0.323 -34.208 6.795 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 0.308 -34.237 7.515 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 0.127 -34.633 6.065 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 7.898 -33.996 7.076 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 6.987 -33.939 7.365 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 8.403 -34.056 7.887 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 2.726 -32.367 5.903 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 1.837 -32.267 5.563 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 3.022 -33.209 5.557 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 12.303 -34.761 10.340 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 11.626 -34.630 11.004 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 11.817 -34.916 9.530 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 9.218 -31.208 8.963 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 9.782 -31.755 8.416 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 9.070 -31.730 9.752 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 4.220 -35.072 5.381 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 3.903 -35.974 5.346 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 5.001 -35.070 4.829 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 8.388 -26.607 3.062 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 7.644 -27.114 2.739 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 8.254 -26.558 4.008 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 10.514 -25.148 2.087 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 10.219 -24.322 2.469 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 9.811 -25.768 2.283 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 16.185 -22.930 3.081 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 15.812 -23.756 3.391 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 16.462 -23.113 2.184 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 5.888 -23.794 6.236 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 6.415 -23.021 6.035 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 5.008 -23.569 5.934 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 7.315 -26.131 5.812 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 7.074 -25.206 5.854 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 6.575 -26.590 6.208 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 5.999 -21.109 5.357 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 5.049 -21.004 5.409 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 6.350 -20.289 5.702 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 13.577 -24.954 0.902 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 13.930 -25.334 1.706 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 12.628 -25.047 0.988 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 18.081 -20.474 1.103 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 18.824 -19.888 0.963 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 17.386 -19.906 1.436 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 14.443 -26.281 3.128 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 14.166 -27.009 3.684 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 15.370 -26.162 3.334 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 1.806 -22.293 12.139 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 2.023 -23.225 12.108 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 2.053 -22.019 13.023 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 6.605 -24.272 1.805 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 6.752 -24.792 2.595 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 6.602 -23.365 2.111 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 9.343 -22.574 2.554 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 8.526 -22.077 2.607 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 9.872 -22.099 1.914 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 6.681 -21.531 2.536 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 6.842 -20.731 2.035 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 6.484 -21.224 3.421 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 14.216 -30.333 8.642 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 13.419 -30.748 8.313 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 14.661 -31.024 9.133 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 9.706 -21.979 -0.513 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 9.062 -22.610 -0.191 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 10.468 -22.510 -0.745 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 14.310 -22.162 -0.279 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 14.593 -22.956 0.174 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 15.050 -21.929 -0.840 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 7.383 -19.346 1.148 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 8.316 -19.188 1.292 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 7.119 -18.671 0.523 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 17.487 -25.975 10.339 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 18.321 -26.353 10.058 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 17.599 -25.032 10.220 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 15.837 -32.075 9.852 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 16.770 -31.863 9.818 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 15.602 -31.973 10.775 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 1.369 -34.578 8.996 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 1.814 -35.370 9.298 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 1.835 -33.862 9.427 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 -0.327 -31.579 10.065 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 0.165 -31.800 9.275 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 0.035 -30.738 10.346 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 -0.050 -36.583 12.464 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 -0.715 -36.829 13.107 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 -0.493 -35.961 11.887 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 2.498 -19.177 12.914 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 1.778 -18.737 12.463 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 2.132 -19.428 13.763 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 4.965 -19.577 11.944 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 4.100 -19.505 12.348 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 4.910 -19.030 11.160 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 1.913 -20.554 9.825 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 1.894 -20.979 10.682 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 2.718 -20.872 9.416 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 4.054 -21.844 8.480 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 3.835 -22.760 8.649 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 4.878 -21.704 8.946 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 10.100 -35.710 8.473 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 9.425 -36.339 8.728 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 10.664 -36.194 7.870 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 15.242 -37.603 8.585 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 15.846 -37.055 8.084 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 14.373 -37.283 8.345 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 16.969 -36.464 6.919 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 17.581 -36.978 6.392 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 17.352 -35.586 6.942 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 2.426 -37.076 6.295 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 1.649 -37.310 5.787 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 2.957 -37.873 6.303 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 7.006 -37.149 6.108 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 7.880 -36.761 6.078 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 6.870 -37.364 7.031 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 12.563 -37.119 7.757 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 12.639 -37.024 6.808 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 12.287 -38.027 7.886 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 10.028 -20.120 1.393 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 10.894 -19.754 1.215 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 9.781 -20.560 0.580 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 16.737 -20.557 4.073 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 16.543 -21.305 3.508 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 16.698 -19.799 3.489 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 5.614 -21.487 36.968 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 6.382 -21.946 37.309 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 5.593 -21.713 36.038 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 16.033 -25.070 36.909 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 15.167 -25.175 37.303 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 16.409 -24.311 37.356 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 2.142 -23.408 35.464 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 1.321 -23.233 35.004 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 1.890 -23.481 36.385 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 0.340 -30.940 42.905 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 -0.108 -30.094 42.887 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 -0.221 -31.520 42.390 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 8.827 -26.232 47.790 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 9.131 -26.918 47.196 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 9.549 -26.114 48.408 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 5.123 -33.737 45.390 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 5.166 -32.877 44.972 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 4.665 -34.289 44.757 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 1.743 -31.340 46.152 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 2.397 -31.890 46.584 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 1.767 -31.614 45.236 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 6.899 -29.790 45.368 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 7.515 -30.316 45.877 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 6.313 -30.430 44.964 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 3.933 -34.819 49.464 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 3.714 -34.289 48.698 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 3.265 -34.592 50.112 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 11.302 -25.319 43.008 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 11.006 -25.641 42.157 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 10.978 -24.419 43.050 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 6.502 -27.143 49.752 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 5.762 -26.545 49.855 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 7.216 -26.589 49.436 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 3.527 -32.927 47.417 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 4.140 -32.294 47.790 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 4.039 -33.399 46.760 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 1.031 -25.508 41.321 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 0.759 -25.279 40.432 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 1.076 -24.670 41.781 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 14.656 -23.886 48.034 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 13.714 -23.828 48.195 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 14.932 -22.980 47.897 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 14.956 -35.600 49.451 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 14.220 -34.989 49.413 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 15.640 -35.185 48.925 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 12.908 -22.105 44.659 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 13.333 -22.812 44.174 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 13.225 -21.304 44.242 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 14.067 -24.204 43.168 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 13.810 -24.894 42.556 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 14.138 -24.647 44.013 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 15.753 -25.638 51.645 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 15.893 -26.229 50.906 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 15.921 -24.765 51.289 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 17.595 -29.298 49.711 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 16.943 -28.603 49.800 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 18.060 -29.088 48.901 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 13.529 -30.292 51.437 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 13.609 -29.529 52.009 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 12.928 -30.013 50.746 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 5.277 -27.836 44.252 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 4.947 -28.206 43.433 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 5.865 -28.506 44.598 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 5.644 -29.067 47.885 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 6.209 -28.946 47.122 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 5.963 -28.430 48.524 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 11.953 -23.564 48.619 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 11.712 -22.902 49.267 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 11.755 -24.398 49.044 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 10.229 -22.567 43.489 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 10.703 -22.272 44.267 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 9.666 -21.829 43.256 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 4.267 -28.766 41.841 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 3.975 -27.998 41.350 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 3.593 -29.426 41.678 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 17.391 -23.188 38.244 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 17.464 -22.249 38.414 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 18.296 -23.493 38.187 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 9.701 -19.611 41.904 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 9.626 -19.732 40.958 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 9.734 -18.661 42.023 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 12.803 -20.457 38.907 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 13.178 -21.201 38.436 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 12.807 -20.727 39.825 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 12.472 -20.531 41.656 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 11.537 -20.431 41.835 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 12.752 -21.240 42.234 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 15.460 -31.464 53.702 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 15.053 -30.983 52.982 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 15.501 -32.369 53.395 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 5.228 -36.610 47.695 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 4.367 -36.697 47.287 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 5.206 -35.754 48.122 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 13.217 -33.132 51.923 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 12.703 -33.258 52.720 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 13.062 -32.220 51.678 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 5.316 -31.423 43.702 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 4.423 -31.764 43.643 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 5.767 -31.800 42.946 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 -0.323 -34.208 44.507 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 0.308 -34.237 45.227 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 0.127 -34.633 43.777 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 11.120 -29.923 50.004 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 11.444 -30.554 49.361 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 10.680 -30.458 50.665 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 7.898 -33.996 44.788 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 6.987 -33.939 45.077 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 8.403 -34.056 45.599 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 2.726 -32.367 43.615 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 1.837 -32.267 43.275 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 3.022 -33.209 43.269 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 12.303 -34.761 48.052 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 11.626 -34.630 48.716 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 11.817 -34.916 47.242 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 7.844 -32.820 49.089 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 7.009 -32.366 49.199 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 8.368 -32.544 49.841 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 15.538 -27.474 49.560 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 16.180 -27.017 49.017 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 14.708 -27.361 49.098 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 9.908 -26.423 52.011 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 9.562 -26.804 52.817 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 9.708 -25.489 52.082 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 16.185 -22.930 40.793 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 15.812 -23.756 41.103 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 16.462 -23.113 39.896 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 5.888 -23.794 43.948 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 6.415 -23.021 43.747 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 5.008 -23.569 43.646 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 1.643 -28.932 38.535 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 2.259 -28.305 38.914 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 0.781 -28.616 38.806 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 7.315 -26.131 43.524 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 7.074 -25.206 43.566 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 6.575 -26.590 43.920 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 5.999 -21.109 43.069 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 5.049 -21.004 43.121 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 6.350 -20.289 43.414 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 11.374 -25.883 49.540 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 10.948 -26.110 50.366 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 11.955 -26.621 49.357 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 13.577 -24.954 38.614 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 13.930 -25.334 39.418 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 12.628 -25.047 38.700 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 18.081 -20.474 38.815 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 18.824 -19.888 38.675 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 17.386 -19.906 39.148 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 14.443 -26.281 40.840 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 14.166 -27.009 41.396 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 15.370 -26.162 41.046 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 3.058 -27.019 40.027 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 2.372 -26.667 40.594 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 3.581 -26.256 39.781 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 10.890 -34.357 50.306 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 11.588 -34.283 50.956 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 10.509 -35.221 50.461 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 9.410 -31.991 51.423 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 9.529 -31.417 52.180 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 10.065 -32.679 51.538 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 6.681 -21.531 40.248 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 6.842 -20.731 39.747 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 6.484 -21.224 41.133 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 15.614 -34.084 52.258 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 14.698 -33.821 52.170 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 15.950 -34.087 51.361 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 3.674 -24.405 38.924 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 4.266 -23.706 39.200 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 4.133 -24.838 38.205 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 2.798 -36.959 46.713 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 2.569 -36.900 45.786 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 2.355 -37.751 47.020 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 14.310 -22.162 37.433 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 14.593 -22.956 37.886 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 15.050 -21.929 36.872 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 13.314 -26.710 51.974 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 14.059 -26.122 51.854 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 12.557 -26.128 52.037 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 6.414 -28.280 39.596 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 5.955 -28.764 40.282 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 6.669 -28.948 38.960 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 6.455 -34.662 50.527 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 6.991 -34.211 49.875 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 5.603 -34.770 50.105 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 8.037 -29.223 50.767 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 8.788 -29.379 50.194 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 7.698 -28.371 50.491 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 7.261 -37.206 50.959 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 7.163 -36.259 50.853 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 6.518 -37.578 50.483 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 7.383 -19.346 38.860 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 8.316 -19.188 39.004 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 7.119 -18.671 38.235 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 0.951 -24.710 38.343 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 1.865 -24.631 38.616 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 0.958 -25.397 37.676 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 17.334 -26.813 41.279 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 18.184 -26.392 41.407 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 17.339 -27.553 41.887 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 17.728 -28.760 43.103 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 17.002 -29.239 43.501 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 18.309 -28.554 43.835 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 17.487 -25.975 48.051 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 18.321 -26.353 47.770 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 17.599 -25.032 47.932 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 15.974 -23.097 50.358 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 15.326 -22.772 50.983 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 15.456 -23.537 49.683 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 17.996 -28.859 39.494 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 17.475 -28.502 38.775 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 17.963 -28.184 40.172 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 16.371 -28.269 53.305 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 16.954 -29.003 53.496 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 16.935 -27.497 53.351 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 17.868 -30.366 53.989 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 17.005 -30.745 53.824 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 18.472 -31.105 53.915 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 1.369 -34.578 46.708 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 1.814 -35.370 47.010 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 1.835 -33.862 47.139 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 17.669 -35.249 54.043 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 16.752 -34.978 54.007 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 17.792 -35.784 53.259 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 16.670 -37.159 51.862 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 15.857 -36.834 51.474 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 16.903 -37.919 51.329 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 10.100 -35.710 46.185 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 9.425 -36.339 46.440 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 10.664 -36.194 45.582 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 12.563 -37.119 45.469 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 12.639 -37.024 44.520 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 12.287 -38.027 45.598 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 10.028 -20.120 39.105 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 10.894 -19.754 38.927 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 9.781 -20.560 38.292 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 16.737 -20.557 41.785 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 16.543 -21.305 41.220 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 16.698 -19.799 41.201 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 2.982 -20.410 37.733 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 2.714 -20.123 38.606 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 3.753 -20.956 37.885 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 11.505 -9.064 -12.603 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 11.594 -8.120 -12.735 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 10.866 -9.339 -13.261 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 2.806 -10.194 -7.591 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 2.848 -10.820 -6.867 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 3.509 -9.571 -7.409 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 14.144 -6.870 -10.882 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 13.703 -7.590 -10.432 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 14.131 -6.149 -10.252 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 3.730 -5.744 -9.056 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 3.360 -6.546 -9.425 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 4.671 -5.913 -9.009 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 12.845 -14.750 -12.777 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 13.491 -15.079 -12.152 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 13.355 -14.232 -13.400 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 6.899 -10.934 -11.200 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 7.515 -11.460 -10.691 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 6.313 -11.574 -11.604 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 17.882 -14.297 -5.681 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 17.193 -13.639 -5.776 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 17.897 -14.494 -4.744 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 11.302 -6.463 -13.560 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 11.006 -6.785 -14.411 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 10.978 -5.563 -13.518 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 14.609 -15.459 -10.796 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 14.394 -16.225 -10.264 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 15.265 -14.987 -10.283 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 3.527 -14.071 -9.151 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 4.140 -13.438 -8.778 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 4.039 -14.543 -9.808 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 4.910 -6.323 -6.029 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 4.904 -5.444 -6.407 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 4.056 -6.406 -5.604 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 14.656 -5.030 -8.534 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 13.714 -4.972 -8.373 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 14.932 -4.124 -8.671 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 14.956 -16.744 -7.117 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 14.220 -16.133 -7.155 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 15.640 -16.329 -7.643 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 12.908 -3.249 -11.909 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 13.333 -3.956 -12.394 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 13.225 -2.448 -12.326 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 17.595 -10.442 -6.857 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 16.943 -9.747 -6.768 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 18.060 -10.232 -7.667 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 5.277 -8.980 -12.316 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 4.947 -9.350 -13.135 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 5.865 -9.650 -11.970 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 6.644 -5.552 -9.635 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 6.549 -6.130 -10.392 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 7.373 -5.923 -9.139 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 5.644 -10.211 -8.683 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 6.209 -10.090 -9.446 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 5.963 -9.574 -8.044 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 3.444 -9.614 -4.737 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 3.514 -8.963 -4.039 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 2.553 -9.511 -5.072 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 10.229 -3.711 -13.079 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 10.703 -3.416 -12.301 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 9.666 -2.973 -13.312 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 9.701 -0.755 -14.664 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 9.626 -0.876 -15.610 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 9.734 0.195 -14.545 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 12.472 -1.675 -14.912 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 11.537 -1.575 -14.733 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 12.752 -2.384 -14.334 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 2.609 -6.224 -4.869 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 2.826 -6.585 -4.009 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 1.754 -6.598 -5.079 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 9.891 -18.032 -5.499 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 10.311 -18.447 -4.746 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 8.958 -18.210 -5.382 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 5.319 -12.788 -7.778 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 4.677 -12.829 -7.069 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 5.356 -11.862 -8.016 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 10.852 -12.151 -14.049 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 10.443 -11.336 -14.341 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 11.572 -12.291 -14.664 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 11.856 -12.705 -11.235 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 11.661 -12.100 -11.950 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 12.038 -13.539 -11.670 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 3.069 -12.468 -5.911 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 3.031 -12.068 -5.043 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 2.578 -13.285 -5.821 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 7.898 -15.140 -11.780 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 6.987 -15.083 -11.491 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 8.403 -15.200 -10.969 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 12.303 -15.905 -8.516 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 11.626 -15.774 -7.852 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 11.817 -16.060 -9.326 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 3.188 -7.759 -2.631 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 3.921 -7.505 -2.070 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 2.408 -7.555 -2.116 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 9.218 -12.352 -9.893 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 9.782 -12.899 -10.440 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 9.070 -12.874 -9.104 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 7.844 -13.964 -7.479 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 7.009 -13.510 -7.369 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 8.368 -13.688 -6.727 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 15.538 -8.618 -7.008 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 16.180 -8.161 -7.551 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 14.708 -8.505 -7.470 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 3.513 -8.456 -10.025 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 4.258 -8.458 -10.626 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 3.591 -9.280 -9.543 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 7.538 -10.478 -2.497 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 7.242 -10.644 -3.392 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 8.469 -10.698 -2.507 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 7.315 -7.275 -13.044 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 7.074 -6.350 -13.002 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 6.575 -7.734 -12.648 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 1.806 -3.437 -6.717 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 2.023 -4.369 -6.748 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 2.053 -3.163 -5.833 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 10.890 -15.501 -6.262 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 11.588 -15.427 -5.612 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 10.509 -16.365 -6.107 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 15.614 -15.228 -4.310 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 14.698 -14.965 -4.398 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 15.950 -15.231 -5.207 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 14.216 -11.477 -10.214 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 13.419 -11.892 -10.543 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 14.661 -12.168 -9.723 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 15.303 -2.221 -8.592 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 15.147 -1.543 -9.249 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 16.235 -2.149 -8.389 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 5.703 -11.531 -4.616 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 5.085 -10.856 -4.335 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 6.047 -11.210 -5.449 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 6.043 -14.176 -3.533 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 6.193 -14.905 -4.136 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 6.045 -13.399 -4.092 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 6.455 -15.806 -6.041 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 6.991 -15.355 -6.693 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 5.603 -15.914 -6.463 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 4.521 -12.978 -1.622 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 3.754 -13.510 -1.832 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 5.200 -13.288 -2.221 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 7.483 -19.056 -2.938 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 8.195 -19.696 -2.952 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 7.382 -18.789 -3.852 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 7.836 -17.373 -0.884 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 7.705 -17.849 -1.705 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 7.237 -16.629 -0.940 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 18.019 -1.571 -8.363 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 17.997 -1.386 -7.424 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 18.709 -1.002 -8.704 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 17.582 -2.004 -5.441 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 17.095 -2.739 -5.812 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 18.131 -2.397 -4.763 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 17.487 -7.119 -8.517 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 18.321 -7.497 -8.798 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 17.599 -6.176 -8.636 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 15.974 -4.241 -6.210 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 15.326 -3.916 -5.585 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 15.456 -4.681 -6.885 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 15.515 -11.383 -12.902 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 15.365 -12.328 -12.922 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 15.161 -11.102 -12.058 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 15.837 -13.219 -9.004 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 16.770 -13.007 -9.038 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 15.602 -13.117 -8.081 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 15.866 -12.482 -6.228 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 15.023 -12.214 -5.862 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 16.309 -11.660 -6.439 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 18.149 -18.502 -0.874 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 18.499 -19.156 -1.480 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 18.296 -17.665 -1.314 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 17.669 -16.393 -2.525 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 16.752 -16.122 -2.561 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 17.792 -16.928 -3.309 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 14.757 -1.481 -12.791 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 15.410 -1.828 -13.399 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 15.268 -0.992 -12.145 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 2.142 -4.552 -2.248 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 1.321 -4.377 -2.708 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 1.890 -4.625 -1.327 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 16.670 -18.303 -4.706 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 15.857 -17.978 -5.094 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 16.903 -19.063 -5.239 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 2.498 -0.321 -5.942 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 1.778 0.119 -6.393 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 2.132 -0.572 -5.093 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 1.913 -1.698 -9.031 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 1.894 -2.123 -8.174 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 2.718 -2.016 -9.440 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 4.054 -2.988 -10.376 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 3.835 -3.904 -10.207 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 4.878 -2.848 -9.910 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 6.591 -2.518 -9.528 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 6.804 -3.406 -9.815 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 6.656 -2.552 -8.573 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 10.100 -16.854 -10.383 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 9.425 -17.483 -10.128 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 10.664 -17.338 -10.986 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 12.779 -19.023 -1.326 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 12.855 -19.449 -0.472 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 13.672 -19.009 -1.668 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 14.144 -6.870 7.974 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 13.703 -7.590 8.424 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 14.131 -6.149 8.604 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 8.827 -7.376 10.078 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 9.131 -8.062 9.484 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 9.549 -7.258 10.696 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 17.490 -15.775 10.939 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 17.539 -15.165 11.675 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 17.916 -15.314 10.216 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 5.123 -14.881 7.678 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 5.166 -14.021 7.260 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 4.665 -15.433 7.045 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 6.899 -10.934 7.656 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 7.515 -11.460 8.165 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 6.313 -11.574 7.252 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 3.933 -15.963 11.752 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 3.714 -15.433 10.986 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 3.265 -15.736 12.400 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 11.302 -6.463 5.296 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 11.006 -6.785 4.445 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 10.978 -5.563 5.338 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 6.502 -8.287 12.040 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 5.762 -7.689 12.143 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 7.216 -7.733 11.724 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 14.656 -5.030 10.322 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 13.714 -4.972 10.483 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 14.932 -4.124 10.185 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 14.067 -5.348 5.456 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 13.810 -6.038 4.844 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 14.138 -5.791 6.301 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 15.753 -6.782 13.933 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 15.893 -7.373 13.194 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 15.921 -5.909 13.577 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 17.595 -10.442 11.999 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 16.943 -9.747 12.088 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 18.060 -10.232 11.189 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 5.277 -8.980 6.540 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 4.947 -9.350 5.721 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 5.865 -9.650 6.886 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 5.644 -10.211 10.173 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 6.209 -10.090 9.410 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 5.963 -9.574 10.812 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 11.953 -4.708 10.907 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 11.712 -4.046 11.555 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 11.755 -5.542 11.332 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 10.229 -3.711 5.777 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 10.703 -3.416 6.555 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 9.666 -2.973 5.544 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 4.267 -9.910 4.129 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 3.975 -9.142 3.638 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 3.593 -10.570 3.966 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 9.701 -0.755 4.192 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 9.626 -0.876 3.246 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 9.734 0.195 4.311 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 12.472 -1.675 3.944 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 11.537 -1.575 4.123 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 12.752 -2.384 4.522 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 15.460 -12.608 15.990 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 15.053 -12.127 15.270 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 15.501 -13.513 15.683 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 5.228 -17.754 9.983 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 4.367 -17.841 9.575 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 5.206 -16.898 10.410 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 5.319 -12.788 11.078 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 4.677 -12.829 11.787 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 5.356 -11.862 10.840 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 5.316 -12.567 5.990 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 4.423 -12.908 5.931 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 5.767 -12.944 5.234 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 9.954 -11.976 16.295 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 9.391 -12.680 16.615 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 10.780 -12.096 16.762 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 6.435 -15.094 -0.257 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 6.004 -15.539 0.473 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 5.717 -14.722 -0.769 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 7.898 -15.140 7.076 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 6.987 -15.083 7.365 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 8.403 -15.200 7.887 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 6.379 -13.511 3.559 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 7.311 -13.382 3.737 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 6.164 -12.841 2.910 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 5.053 -12.316 1.126 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 4.511 -12.696 0.435 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 5.887 -12.122 0.697 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 4.220 -16.216 5.381 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 3.903 -17.118 5.346 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 5.001 -16.214 4.829 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 7.844 -13.964 11.377 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 7.009 -13.510 11.487 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 8.368 -13.688 12.129 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 15.538 -8.618 11.848 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 16.180 -8.161 11.305 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 14.708 -8.505 11.386 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 9.908 -7.567 14.299 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 9.562 -7.948 15.105 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 9.708 -6.633 14.370 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 7.538 -10.478 16.359 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 7.242 -10.644 15.464 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 8.469 -10.698 16.349 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 17.889 -12.860 2.616 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 17.335 -13.256 1.944 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 17.990 -11.950 2.339 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 16.185 -4.074 3.081 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 15.812 -4.900 3.391 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 16.462 -4.257 2.184 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 7.315 -7.275 5.812 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 7.074 -6.350 5.854 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 6.575 -7.734 6.208 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 5.999 -2.253 5.357 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 5.049 -2.148 5.409 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 6.350 -1.433 5.702 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 11.374 -7.027 11.828 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 10.948 -7.254 12.654 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 11.955 -7.765 11.645 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 18.081 -1.618 1.103 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 18.824 -1.032 0.963 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 17.386 -1.050 1.436 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 6.605 -5.416 1.805 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 6.752 -5.936 2.595 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 6.602 -4.509 2.111 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 3.058 -8.163 2.315 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 2.372 -7.811 2.882 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 3.581 -7.400 2.069 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 9.343 -3.718 2.554 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 8.526 -3.221 2.607 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 9.872 -3.243 1.914 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 6.681 -2.675 2.536 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 6.842 -1.875 2.035 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 6.484 -2.368 3.421 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 5.415 -15.977 2.152 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 5.332 -15.088 2.498 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 6.305 -16.242 2.383 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 3.674 -5.549 1.212 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 4.266 -4.850 1.488 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 4.133 -5.982 0.493 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 2.798 -18.103 9.001 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 2.569 -18.044 8.074 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 2.355 -18.895 9.308 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 5.265 -7.396 -0.422 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 5.329 -8.190 0.109 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 5.918 -7.515 -1.111 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 13.314 -7.854 14.262 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 14.059 -7.266 14.142 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 12.557 -7.272 14.325 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 6.414 -9.424 1.884 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 5.955 -9.908 2.570 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 6.669 -10.092 1.248 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 5.703 -11.531 14.240 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 5.085 -10.856 14.521 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 6.047 -11.210 13.407 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 6.043 -14.176 15.323 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 6.193 -14.905 14.720 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 6.045 -13.399 14.764 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 6.455 -15.806 12.815 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 6.991 -15.355 12.163 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 5.603 -15.914 12.393 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 8.037 -10.367 13.055 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 8.788 -10.523 12.482 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 7.698 -9.515 12.779 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 12.453 -12.552 18.083 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 12.645 -13.483 17.972 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 13.310 -12.127 18.073 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 13.769 -9.763 16.161 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 13.488 -9.054 15.583 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 14.712 -9.836 16.010 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 4.521 -12.978 17.234 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 3.754 -13.510 17.024 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 5.200 -13.288 16.635 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 8.525 -14.028 16.810 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 8.289 -14.248 17.712 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 7.742 -14.235 16.301 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 2.702 -15.057 16.939 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 2.913 -15.764 16.328 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 2.590 -15.495 17.783 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 7.836 -17.373 17.972 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 7.705 -17.849 17.151 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 7.237 -16.629 17.916 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 0.951 -5.854 0.631 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 1.865 -5.775 0.904 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 0.958 -6.541 -0.036 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 17.334 -7.957 3.567 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 18.184 -7.536 3.695 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 17.339 -8.697 4.175 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 17.728 -9.904 5.391 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 17.002 -10.383 5.789 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 18.309 -9.698 6.123 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 17.487 -7.119 10.339 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 18.321 -7.497 10.058 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 17.599 -6.176 10.220 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 16.345 -12.763 0.333 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 16.442 -12.096 -0.347 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 16.205 -13.579 -0.149 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 16.371 -9.413 15.593 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 16.954 -10.147 15.784 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 16.935 -8.641 15.639 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 17.868 -11.510 16.277 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 17.005 -11.889 16.112 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 18.472 -12.249 16.203 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 15.866 -12.482 12.628 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 15.023 -12.214 12.994 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 16.309 -11.660 12.417 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 17.705 -16.470 0.993 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 18.118 -17.191 0.517 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 18.387 -15.800 1.051 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 14.757 -1.481 6.065 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 15.410 -1.828 5.457 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 15.268 -0.992 6.711 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 -0.050 -17.727 12.464 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 -0.715 -17.973 13.107 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 -0.493 -17.105 11.887 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 2.426 -18.220 6.295 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 1.649 -18.454 5.787 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 2.957 -19.017 6.303 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 1.164 -2.474 2.996 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 0.479 -2.512 2.328 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 1.167 -1.561 3.284 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 8.150 -16.213 2.998 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 8.328 -16.859 3.681 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 8.096 -15.379 3.465 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 10.028 -1.264 1.393 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 10.894 -0.898 1.215 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 9.781 -1.704 0.580 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 16.737 -1.701 4.073 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 16.543 -2.449 3.508 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 16.698 -0.943 3.489 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 2.384 -17.706 15.812 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 2.018 -18.471 16.255 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 3.297 -17.677 16.099 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 4.357 -18.355 17.348 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 5.256 -18.629 17.163 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 3.971 -19.098 17.812 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 11.505 -9.064 25.109 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 11.594 -8.120 24.977 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 10.866 -9.339 24.451 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 10.438 -9.809 28.528 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 10.400 -10.455 29.233 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 10.115 -10.275 27.757 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 2.806 -10.194 30.121 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 2.848 -10.820 30.845 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 3.509 -9.571 30.303 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 14.144 -6.870 26.830 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 13.703 -7.590 27.280 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 14.131 -6.149 27.460 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 0.340 -12.084 24.049 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 -0.108 -11.238 24.031 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 -0.221 -12.664 23.534 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 1.050 -9.922 26.175 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 1.264 -10.692 26.702 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 1.788 -9.833 25.572 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 1.743 -12.484 27.296 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 2.397 -13.034 27.728 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 1.767 -12.758 26.380 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 6.899 -10.934 26.512 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 7.515 -11.460 27.021 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 6.313 -11.574 26.108 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 15.753 -6.782 32.789 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 15.893 -7.373 32.050 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 15.921 -5.909 32.433 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 10.226 -9.820 22.561 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 9.514 -9.285 22.210 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 10.917 -9.764 21.901 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 10.280 -11.362 19.600 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 10.981 -11.340 20.251 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 10.582 -11.990 18.944 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 13.632 -9.610 23.513 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 12.900 -9.382 24.086 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 14.079 -10.324 23.968 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 13.529 -11.436 32.581 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 13.609 -10.673 33.153 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 12.928 -11.157 31.890 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 5.277 -8.980 25.396 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 4.947 -9.350 24.577 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 5.865 -9.650 25.742 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 5.644 -10.211 29.029 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 6.209 -10.090 28.266 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 5.963 -9.574 29.668 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 12.503 -10.448 21.198 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 13.082 -10.298 21.945 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 12.917 -9.977 20.475 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 4.267 -9.910 22.985 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 3.975 -9.142 22.494 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 3.593 -10.570 22.822 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 15.460 -12.608 34.846 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 15.053 -12.127 34.126 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 15.501 -13.513 34.539 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 13.980 -9.415 18.828 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 14.022 -9.638 17.898 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 14.829 -9.017 19.018 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 5.319 -12.788 29.934 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 4.677 -12.829 30.643 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 5.356 -11.862 29.696 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 10.852 -12.151 23.663 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 10.443 -11.336 23.371 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 11.572 -12.291 23.048 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 3.069 -12.468 31.801 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 3.031 -12.068 32.669 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 2.578 -13.285 31.891 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 6.435 -15.094 18.599 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 6.004 -15.539 19.329 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 5.717 -14.722 18.087 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 -0.323 -15.352 25.651 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 0.308 -15.381 26.371 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 0.127 -15.777 24.921 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 0.952 -14.606 21.075 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 1.426 -14.015 20.490 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 0.234 -14.075 21.422 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 11.120 -11.067 31.148 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 11.444 -11.698 30.505 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 10.680 -11.602 31.809 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 5.053 -12.316 19.982 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 4.511 -12.696 19.291 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 5.887 -12.122 19.553 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 15.538 -8.618 30.704 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 16.180 -8.161 30.161 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 14.708 -8.505 30.242 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 3.513 -8.456 27.687 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 4.258 -8.458 27.086 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 3.591 -9.280 28.169 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 17.889 -12.860 21.472 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 17.335 -13.256 20.800 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 17.990 -11.950 21.195 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 17.853 -7.060 34.309 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 17.001 -6.822 33.942 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 18.443 -7.077 33.556 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 13.345 -9.266 28.959 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 12.417 -9.498 28.932 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 13.796 -10.043 28.629 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 1.643 -10.076 19.679 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 2.259 -9.449 20.058 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 0.781 -9.760 19.950 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 9.410 -13.135 32.567 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 9.529 -12.561 33.324 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 10.065 -13.823 32.682 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 1.990 -12.885 19.184 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 1.945 -11.946 19.363 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 1.102 -13.121 18.914 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 13.314 -7.854 33.118 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 14.059 -7.266 32.998 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 12.557 -7.272 33.181 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 6.414 -9.424 20.740 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 5.955 -9.908 21.426 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 6.669 -10.092 20.104 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 5.703 -11.531 33.096 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 5.085 -10.856 33.377 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 6.047 -11.210 32.263 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 7.485 -11.181 19.003 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 7.305 -11.335 18.075 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 8.436 -11.073 19.047 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 16.875 -8.826 18.448 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 16.602 -9.251 17.635 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 16.915 -7.895 18.231 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 6.043 -14.176 34.179 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 6.193 -14.905 33.576 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 6.045 -13.399 33.620 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 8.037 -10.367 31.911 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 8.788 -10.523 31.338 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 7.698 -9.515 31.635 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 12.453 -12.552 36.939 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 12.645 -13.483 36.828 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 13.310 -12.127 36.929 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 13.769 -9.763 35.017 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 13.488 -9.054 34.439 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 14.712 -9.836 34.866 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 4.521 -12.978 36.090 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 3.754 -13.510 35.880 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 5.200 -13.288 35.491 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 8.525 -14.028 35.666 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 8.289 -14.248 36.568 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 7.742 -14.235 35.157 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 11.241 -14.901 34.742 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 10.293 -14.869 34.874 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 11.553 -15.526 35.396 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 12.875 -16.267 36.747 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 12.778 -17.219 36.741 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 12.553 -15.998 37.608 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 2.702 -15.057 35.795 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 2.913 -15.764 35.184 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 2.590 -15.495 36.639 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 7.836 -17.373 36.828 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 7.705 -17.849 36.007 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 7.237 -16.629 36.772 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 17.334 -7.957 22.423 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 18.184 -7.536 22.551 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 17.339 -8.697 23.031 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 17.728 -9.904 24.247 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 17.002 -10.383 24.645 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 18.309 -9.698 24.979 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 17.487 -7.119 29.195 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 18.321 -7.497 28.914 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 17.599 -6.176 29.076 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 17.996 -10.003 20.638 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 17.475 -9.646 19.919 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 17.963 -9.328 21.316 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 16.345 -12.763 19.189 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 16.442 -12.096 18.509 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 16.205 -13.579 18.707 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 15.515 -11.383 24.810 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 15.365 -12.328 24.790 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 15.161 -11.102 25.654 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 16.371 -9.413 34.449 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 16.954 -10.147 34.640 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 16.935 -8.641 34.495 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 0.148 -14.034 34.961 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 1.067 -14.156 35.197 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 -0.302 -14.784 35.350 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 -0.327 -12.723 28.921 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 0.165 -12.944 28.131 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 0.035 -11.882 29.202 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 -0.014 -16.465 22.976 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 -0.939 -16.256 22.846 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 0.440 -15.981 22.286 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 1.263 -18.422 20.954 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 1.702 -17.811 20.363 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 0.629 -17.884 21.428 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 3.124 -16.506 19.397 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 3.615 -17.136 18.869 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 3.747 -16.210 20.060 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 16.201 -18.698 39.867 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 15.302 -18.559 40.162 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 16.453 -17.867 39.465 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 13.980 -9.415 37.684 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 14.022 -9.638 36.754 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 14.829 -9.017 37.874 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 9.553 -15.539 38.354 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 9.299 -15.520 39.277 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 9.296 -16.411 38.053 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 6.435 -15.094 37.455 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 6.004 -15.539 38.185 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 5.717 -14.722 36.943 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 12.286 -14.937 38.973 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 11.348 -14.825 38.822 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 12.583 -14.080 39.279 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 17.889 -12.860 40.328 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 17.335 -13.256 39.656 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 17.990 -11.950 40.051 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 16.875 -8.826 37.304 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 16.602 -9.251 36.491 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 16.915 -7.895 37.087 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 17.996 -10.003 39.494 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 17.475 -9.646 38.775 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 17.963 -9.328 40.172 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 16.345 -12.763 38.045 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 16.442 -12.096 37.365 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 16.205 -13.579 37.563 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 15.593 -15.355 37.162 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 16.203 -15.727 37.799 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 14.756 -15.777 37.358 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 17.705 -16.470 38.705 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 18.118 -17.191 38.229 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 18.387 -15.800 38.763 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 1.263 -18.422 39.810 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 1.702 -17.811 39.219 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 0.629 -17.884 40.284 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 13.916 -18.237 41.162 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 13.213 -17.623 40.952 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 13.471 -19.075 41.293 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 3.124 -16.506 38.253 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 3.615 -17.136 37.725 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 3.747 -16.210 38.916 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 2.806 8.662 -7.591 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 2.848 8.036 -6.867 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 3.509 9.285 -7.409 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 17.490 3.081 -7.917 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 17.539 3.691 -7.181 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 17.916 3.542 -8.640 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 11.968 5.874 -8.450 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 12.111 4.927 -8.430 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 11.862 6.081 -9.379 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 12.845 4.106 -12.777 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 13.491 3.777 -12.152 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 13.355 4.624 -13.400 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 17.882 4.559 -5.681 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 17.193 5.217 -5.776 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 17.897 4.362 -4.744 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 3.933 2.893 -7.104 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 3.714 3.423 -7.870 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 3.265 3.120 -6.456 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 6.502 10.569 -6.816 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 5.762 11.167 -6.713 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 7.216 11.123 -7.132 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 14.609 3.397 -10.796 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 14.394 2.631 -10.264 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 15.265 3.869 -10.283 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 3.527 4.785 -9.151 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 4.140 5.418 -8.778 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 4.039 4.313 -9.808 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 4.910 12.533 -6.029 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 4.904 13.412 -6.407 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 4.056 12.450 -5.604 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 13.529 7.420 -5.131 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 13.609 8.183 -4.559 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 12.928 7.699 -5.822 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 5.644 8.645 -8.683 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 6.209 8.766 -9.446 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 5.963 9.282 -8.044 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 6.524 13.044 -3.966 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 6.212 13.826 -3.510 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 5.874 12.891 -4.652 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 3.444 9.242 -4.737 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 3.514 9.893 -4.039 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 2.553 9.345 -5.072 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 0.360 11.309 -5.912 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 -0.141 11.281 -6.727 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 0.366 10.403 -5.602 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 15.460 6.248 -2.866 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 15.053 6.729 -3.586 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 15.501 5.343 -3.173 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 2.609 12.632 -4.869 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 2.826 12.271 -4.009 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 1.754 12.258 -5.079 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 5.228 1.102 -8.873 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 4.367 1.015 -9.281 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 5.206 1.958 -8.446 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 5.319 6.068 -7.778 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 4.677 6.027 -7.069 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 5.356 6.994 -8.016 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 9.954 6.880 -2.561 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 9.391 6.176 -2.241 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 10.780 6.760 -2.094 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 11.856 6.151 -11.235 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 11.661 6.756 -11.950 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 12.038 5.317 -11.670 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 3.069 6.388 -5.911 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 3.031 6.788 -5.043 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 2.578 5.571 -5.821 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 11.120 7.789 -6.564 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 11.444 7.158 -7.207 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 10.680 7.254 -5.903 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 7.898 3.716 -11.780 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 6.987 3.773 -11.491 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 8.403 3.656 -10.969 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 3.188 11.097 -2.631 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 3.921 11.351 -2.070 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 2.408 11.301 -2.116 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 9.218 6.504 -9.893 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 9.782 5.957 -10.440 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 9.070 5.982 -9.104 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 7.844 4.892 -7.479 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 7.009 5.346 -7.369 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 8.368 5.168 -6.727 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 9.908 11.289 -4.557 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 9.562 10.908 -3.751 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 9.708 12.223 -4.486 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 0.521 8.861 -4.710 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 0.744 8.443 -3.878 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 -0.081 8.248 -5.132 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 11.674 3.007 -15.165 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 11.894 3.479 -15.968 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 12.232 3.402 -14.494 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 9.410 5.721 -5.145 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 9.529 6.295 -4.388 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 10.065 5.033 -5.030 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 9.758 1.816 -13.392 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 9.411 2.434 -12.747 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 10.416 2.317 -13.873 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 14.216 7.379 -10.214 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 13.419 6.964 -10.543 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 14.661 6.688 -9.723 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 2.798 0.753 -9.855 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 2.569 0.812 -10.782 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 2.355 -0.039 -9.548 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 0.924 11.116 -1.410 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 1.068 10.214 -1.696 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 0.151 11.402 -1.898 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 7.579 11.086 -1.977 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 7.251 11.357 -2.835 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 7.731 10.145 -2.065 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 10.723 9.796 -1.338 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 11.676 9.880 -1.366 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 10.563 9.085 -0.719 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 6.455 3.050 -6.041 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 6.991 3.501 -6.693 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 5.603 2.942 -6.463 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 8.037 8.489 -5.801 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 8.788 8.333 -6.374 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 7.698 9.341 -6.077 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 12.453 6.304 -0.773 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 12.645 5.373 -0.884 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 13.310 6.729 -0.783 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 11.241 3.955 -2.970 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 10.293 3.987 -2.838 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 11.553 3.330 -2.316 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 17.868 7.346 -2.579 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 17.005 6.967 -2.744 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 18.472 6.607 -2.653 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 15.837 5.637 -9.004 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 16.770 5.849 -9.038 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 15.602 5.739 -8.081 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 15.866 6.374 -6.228 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 15.023 6.642 -5.862 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 16.309 7.196 -6.439 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 0.148 4.822 -2.751 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 1.067 4.700 -2.515 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 -0.302 4.072 -2.362 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 15.839 2.319 -14.391 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 16.021 1.870 -13.566 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 15.239 1.734 -14.855 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 -0.050 1.129 -6.392 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 -0.715 0.883 -5.749 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 -0.493 1.751 -6.969 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 16.969 1.248 -11.937 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 17.581 0.734 -12.464 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 17.352 2.126 -11.914 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 7.006 0.563 -12.748 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 7.880 0.951 -12.778 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 6.870 0.348 -11.825 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 13.916 0.619 -15.406 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 13.213 1.233 -15.616 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 13.471 -0.219 -15.275 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 0.340 6.772 5.193 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 -0.108 7.618 5.175 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 -0.221 6.192 4.678 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 10.280 7.494 0.744 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 10.981 7.516 1.395 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 10.582 6.866 0.088 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 4.267 8.946 4.129 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 3.975 9.714 3.638 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 3.593 8.286 3.966 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 9.553 3.317 0.642 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 9.299 3.336 1.565 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 9.296 2.445 0.341 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 5.316 6.289 5.990 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 4.423 5.948 5.931 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 5.767 5.912 5.234 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 0.952 4.250 2.219 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 1.426 4.841 1.634 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 0.234 4.781 2.566 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 2.726 5.345 5.903 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 1.837 5.445 5.563 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 3.022 4.503 5.557 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 6.379 5.345 3.559 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 7.311 5.474 3.737 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 6.164 6.015 2.910 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 4.220 2.640 5.381 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 3.903 1.738 5.346 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 5.001 2.642 4.829 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 8.388 11.105 3.062 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 7.644 10.598 2.739 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 8.254 11.154 4.008 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 12.286 3.919 1.261 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 11.348 4.031 1.110 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 12.583 4.776 1.567 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 13.004 5.786 2.922 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 13.896 5.649 3.241 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 13.061 6.577 2.385 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 17.889 5.996 2.616 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 17.335 5.600 1.944 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 17.990 6.906 2.339 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 1.643 8.780 0.823 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 2.259 9.407 1.202 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 0.781 9.096 1.094 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 3.058 10.693 2.315 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 2.372 11.045 2.882 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 3.581 11.456 2.069 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 11.674 3.007 3.691 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 11.894 3.479 2.888 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 12.232 3.402 4.362 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 8.874 4.735 4.526 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 9.686 5.239 4.572 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 8.629 4.590 5.440 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 9.758 1.816 5.464 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 9.411 2.434 6.109 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 10.416 2.317 4.983 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 3.674 13.307 1.212 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 4.266 14.006 1.488 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 4.133 12.874 0.493 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 5.265 11.460 -0.422 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 5.329 10.666 0.109 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 5.918 11.341 -1.111 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 6.414 9.432 1.884 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 5.955 8.948 2.570 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 6.669 8.764 1.248 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 16.345 6.093 0.333 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 16.442 6.760 -0.347 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 16.205 5.277 -0.149 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 15.225 5.056 4.416 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 15.505 4.149 4.541 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 15.984 5.490 4.027 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 15.839 2.319 4.465 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 16.021 1.870 5.290 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 15.239 1.734 4.001 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 17.705 2.386 0.993 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 18.118 1.665 0.517 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 18.387 3.056 1.051 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 -0.014 2.391 4.120 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 -0.939 2.600 3.990 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 0.440 2.875 3.430 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 1.263 0.434 2.098 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 1.702 1.045 1.507 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 0.629 0.972 2.572 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 7.006 0.563 6.108 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 7.880 0.951 6.078 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 6.870 0.348 7.031 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 13.916 0.619 3.450 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 13.213 1.233 3.240 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 13.471 -0.219 3.581 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 8.150 2.643 2.998 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 8.328 1.997 3.681 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 8.096 3.477 3.465 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 23.766 -44.035 12.827 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 23.760 -43.156 12.449 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 22.912 -44.118 13.252 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 25.380 -43.524 14.890 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 25.068 -42.742 15.346 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 24.730 -43.677 14.204 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 23.619 -41.452 15.654 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 23.627 -41.588 14.706 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 22.703 -41.570 15.906 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 19.216 -45.259 12.944 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 18.715 -45.287 12.129 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 19.222 -46.165 13.254 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 18.967 -42.479 9.828 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 19.913 -42.623 9.809 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 18.854 -41.695 10.365 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 28.143 -42.239 14.386 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 28.230 -41.413 14.861 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 27.279 -42.569 14.635 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 21.465 -43.936 13.987 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 21.682 -44.297 14.847 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 20.610 -44.310 13.777 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 22.044 -45.471 16.225 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 22.777 -45.217 16.786 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 21.264 -45.267 16.740 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 19.377 -47.707 14.146 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 19.600 -48.125 14.978 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 18.775 -48.320 13.724 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 20.662 -41.149 12.139 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 20.879 -42.081 12.108 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 20.909 -40.875 13.023 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 19.780 -45.452 17.446 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 19.924 -46.354 17.160 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 19.007 -45.166 16.958 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 26.435 -45.482 16.879 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 26.107 -45.211 16.021 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 26.587 -46.423 16.791 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 20.612 -48.252 16.866 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 21.020 -49.109 16.745 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 20.352 -48.237 17.787 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 23.952 -41.289 12.867 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 23.527 -40.480 12.584 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 24.857 -41.204 12.565 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 28.263 -39.890 15.826 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 28.448 -40.224 16.704 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 29.110 -39.581 15.504 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 21.354 -38.033 12.914 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 20.634 -37.593 12.463 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 20.988 -38.284 13.763 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 23.821 -38.433 11.944 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 22.956 -38.361 12.348 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 23.766 -37.886 11.160 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 20.769 -39.410 9.825 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 20.750 -39.835 10.682 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 21.574 -39.728 9.416 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 21.662 -47.906 30.121 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 21.704 -48.532 30.845 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 22.365 -47.283 30.303 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 19.196 -49.796 24.049 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 18.748 -48.950 24.031 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 18.635 -50.376 23.534 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 19.906 -47.634 26.175 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 20.120 -48.404 26.702 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 20.644 -47.545 25.572 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 30.111 -39.477 27.042 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 30.731 -40.154 26.769 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 29.903 -39.695 27.950 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 27.683 -45.088 28.934 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 27.987 -45.774 28.340 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 28.405 -44.970 29.552 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 20.599 -50.196 27.296 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 21.253 -50.746 27.728 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 20.623 -50.470 26.380 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 25.755 -48.646 26.512 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 26.371 -49.172 27.021 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 25.169 -49.286 26.108 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 30.158 -44.175 24.152 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 29.862 -44.497 23.301 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 29.834 -43.275 24.194 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 25.358 -45.999 30.896 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 24.618 -45.401 30.999 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 26.072 -45.445 30.580 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 19.887 -44.364 22.465 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 19.615 -44.135 21.576 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 19.932 -43.526 22.925 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 29.082 -47.532 22.561 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 28.370 -46.997 22.210 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 29.773 -47.476 21.901 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 24.133 -46.692 25.396 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 23.803 -47.062 24.577 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 24.721 -47.362 25.742 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 24.500 -47.923 29.029 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 25.065 -47.802 28.266 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 24.819 -47.286 29.668 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 30.809 -42.420 29.763 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 30.568 -41.758 30.411 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 30.611 -43.254 30.188 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 22.300 -47.326 32.975 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 22.370 -46.675 33.673 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 21.409 -47.223 32.640 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 29.085 -41.423 24.633 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 29.559 -41.128 25.411 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 28.522 -40.685 24.400 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 23.123 -47.622 22.985 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 22.831 -46.854 22.494 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 22.449 -48.282 22.822 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 28.143 -42.239 33.242 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 28.230 -41.413 33.717 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 27.279 -42.569 33.491 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 28.557 -38.467 23.048 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 28.482 -38.588 22.102 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 28.590 -37.517 23.167 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 27.244 -45.463 21.918 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 26.500 -45.970 21.595 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 27.110 -45.414 22.864 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 28.764 -45.279 33.155 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 28.418 -45.660 33.961 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 28.564 -44.345 33.226 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 22.369 -46.168 27.687 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 23.114 -46.170 27.086 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 22.447 -46.992 28.169 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 29.370 -44.004 20.943 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 29.075 -43.178 21.325 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 28.667 -44.624 21.139 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 19.377 -47.707 33.002 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 19.600 -48.125 33.834 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 18.775 -48.320 32.580 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 26.394 -48.190 35.215 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 26.098 -48.356 34.320 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 27.325 -48.410 35.205 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 20.499 -47.788 19.679 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 21.115 -47.161 20.058 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 19.637 -47.472 19.950 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 26.171 -44.987 24.668 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 25.930 -44.062 24.710 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 25.431 -45.446 25.064 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 26.686 -40.838 30.983 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 27.049 -39.983 30.750 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 27.218 -41.130 31.724 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 26.524 -42.698 18.205 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 26.763 -43.446 17.657 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 26.255 -43.086 19.037 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 21.914 -45.875 21.171 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 21.228 -45.523 21.738 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 22.437 -45.112 20.925 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 28.199 -41.430 21.410 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 27.382 -40.933 21.463 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 28.728 -40.955 20.770 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 24.470 -40.343 36.968 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 25.238 -40.802 37.309 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 24.449 -40.569 36.038 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 28.562 -40.835 18.343 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 27.918 -41.466 18.665 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 29.324 -41.366 18.111 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 24.121 -45.108 18.434 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 24.185 -45.902 18.965 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 24.774 -45.227 17.745 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 26.435 -45.482 35.735 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 26.107 -45.211 34.877 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 26.587 -46.423 35.647 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 29.473 -44.061 18.170 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 29.205 -43.881 19.071 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 29.267 -44.987 18.039 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 20.612 -48.252 35.722 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 21.020 -49.109 35.601 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 20.352 -48.237 36.643 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 25.270 -47.136 20.740 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 24.811 -47.620 21.426 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 25.525 -47.804 20.104 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 24.559 -49.243 33.096 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 23.941 -48.568 33.377 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 24.903 -48.922 32.263 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 26.893 -48.079 31.911 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 27.644 -48.235 31.338 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 26.554 -47.227 31.635 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 26.239 -38.202 20.004 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 27.172 -38.044 20.148 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 25.975 -37.527 19.379 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 19.406 -47.017 28.820 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 19.590 -47.099 27.885 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 20.255 -47.141 29.244 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 18.529 -50.435 28.921 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 19.021 -50.656 28.131 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 18.891 -49.594 29.202 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 28.263 -39.890 34.682 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 28.448 -40.224 35.560 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 29.110 -39.581 34.360 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 28.532 -38.545 29.976 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 28.075 -38.016 29.322 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 28.695 -37.942 30.701 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 28.884 -38.976 20.249 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 29.750 -38.610 20.071 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 28.637 -39.416 19.436 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 22.586 -43.456 47.512 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 22.216 -44.258 47.143 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 23.527 -43.625 47.559 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 19.196 -49.796 42.905 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 18.748 -48.950 42.887 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 18.635 -50.376 42.390 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 19.906 -47.634 45.031 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 20.120 -48.404 45.558 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 20.644 -47.545 44.428 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 24.133 -46.692 44.252 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 23.803 -47.062 43.433 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 24.721 -47.362 44.598 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 23.123 -47.622 41.841 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 22.831 -46.854 41.350 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 22.449 -48.282 41.678 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 18.967 -42.479 47.540 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 19.913 -42.623 47.521 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 18.854 -41.695 48.077 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 22.369 -46.168 46.543 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 23.114 -46.170 45.942 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 22.447 -46.992 47.025 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 24.744 -42.650 43.948 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 25.271 -41.877 43.747 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 23.864 -42.425 43.646 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 20.499 -47.788 38.535 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 21.115 -47.161 38.914 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 19.637 -47.472 38.806 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 26.171 -44.987 43.524 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 25.930 -44.062 43.566 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 25.431 -45.446 43.920 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 24.855 -39.965 43.069 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 23.905 -39.860 43.121 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 25.206 -39.145 43.414 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 20.662 -41.149 49.851 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 20.879 -42.081 49.820 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 20.909 -40.875 50.735 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 26.524 -42.698 37.061 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 26.763 -43.446 36.513 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 26.255 -43.086 37.893 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 25.461 -43.128 39.517 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 25.608 -43.648 40.307 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 25.458 -42.221 39.823 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 21.914 -45.875 40.027 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 21.228 -45.523 40.594 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 22.437 -45.112 39.781 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 25.537 -40.387 40.248 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 25.698 -39.587 39.747 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 25.340 -40.080 41.133 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 28.562 -40.835 37.199 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 27.918 -41.466 37.521 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 29.324 -41.366 36.967 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 24.121 -45.108 37.290 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 24.185 -45.902 37.821 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 24.774 -45.227 36.601 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 25.270 -47.136 39.596 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 24.811 -47.620 40.282 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 25.525 -47.804 38.960 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 26.239 -38.202 38.860 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 27.172 -38.044 39.004 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 25.975 -37.527 38.235 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 21.354 -38.033 50.626 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 20.634 -37.593 50.175 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 20.988 -38.284 51.475 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 23.821 -38.433 49.656 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 22.956 -38.361 50.060 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 23.766 -37.886 48.872 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 20.769 -39.410 47.537 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 20.750 -39.835 48.394 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 21.574 -39.728 47.128 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 22.910 -40.700 46.192 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 22.691 -41.616 46.361 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 23.734 -40.560 46.658 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 25.447 -40.230 47.040 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 25.660 -41.118 46.753 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 25.512 -40.264 47.995 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 22.586 -24.600 9.800 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 22.216 -25.402 9.431 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 23.527 -24.769 9.847 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 19.906 -28.778 7.319 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 20.120 -29.548 7.846 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 20.644 -28.689 6.716 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 20.599 -31.340 8.440 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 21.253 -31.890 8.872 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 20.623 -31.614 7.524 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 22.789 -34.819 11.752 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 22.570 -34.289 10.986 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 22.121 -34.592 12.400 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 25.358 -27.143 12.040 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 24.618 -26.545 12.143 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 26.072 -26.589 11.724 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 22.383 -32.927 9.705 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 22.996 -32.294 10.078 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 22.895 -33.399 9.048 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 23.766 -25.179 12.827 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 23.760 -24.300 12.449 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 22.912 -25.262 13.252 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 25.500 -24.408 9.221 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 25.405 -24.986 8.464 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 26.229 -24.779 9.717 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 24.500 -29.067 10.173 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 25.065 -28.946 9.410 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 24.819 -28.430 10.812 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 25.380 -24.668 14.890 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 25.068 -23.886 15.346 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 24.730 -24.821 14.204 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 28.143 -23.383 14.386 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 28.230 -22.557 14.861 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 27.279 -23.713 14.635 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 22.211 -20.822 5.973 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 22.363 -21.170 6.852 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 21.360 -21.178 5.718 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 24.175 -31.644 11.078 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 23.533 -31.685 11.787 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 24.212 -30.718 10.840 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 28.810 -30.832 16.295 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 28.247 -31.536 16.615 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 29.636 -30.952 16.762 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 21.925 -31.324 12.945 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 21.887 -30.924 13.813 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 21.434 -32.141 13.035 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 18.533 -34.208 6.795 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 19.164 -34.237 7.515 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 18.983 -34.633 6.065 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 28.764 -26.423 14.299 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 28.418 -26.804 15.105 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 28.564 -25.489 14.370 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 22.369 -27.312 8.831 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 23.114 -27.314 8.230 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 22.447 -28.136 9.313 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 26.394 -29.334 16.359 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 26.098 -29.500 15.464 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 27.325 -29.554 16.349 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 26.686 -21.982 12.127 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 27.049 -21.127 11.894 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 27.218 -22.274 12.868 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 21.011 -34.098 13.704 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 20.118 -33.759 13.637 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 20.912 -34.953 14.122 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 21.654 -36.959 9.001 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 21.425 -36.900 8.074 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 21.211 -37.751 9.308 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 20.584 -23.019 5.162 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 19.752 -22.546 5.189 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 21.130 -22.509 4.563 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 31.047 -23.107 16.841 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 30.696 -23.963 17.084 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 31.773 -22.964 17.448 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 26.435 -26.626 16.879 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 26.107 -26.355 16.021 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 26.587 -27.567 16.791 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 24.559 -30.387 14.240 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 23.941 -29.712 14.521 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 24.903 -30.066 13.407 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 29.579 -27.916 17.518 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 30.532 -27.832 17.490 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 29.419 -28.627 18.137 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 24.899 -33.032 15.323 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 25.049 -33.761 14.720 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 24.901 -32.255 14.764 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 25.311 -34.662 12.815 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 25.847 -34.211 12.163 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 24.459 -34.770 12.393 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 26.893 -29.223 13.055 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 27.644 -29.379 12.482 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 26.554 -28.371 12.779 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 23.377 -31.834 17.234 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 22.610 -32.366 17.024 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 24.056 -32.144 16.635 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 26.117 -37.206 13.247 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 26.019 -36.259 13.141 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 25.374 -37.578 12.771 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 27.381 -32.884 16.810 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 27.145 -33.104 17.712 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 26.598 -33.091 16.301 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 26.339 -37.912 15.918 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 27.051 -38.552 15.904 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 26.238 -37.645 15.004 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 26.692 -36.229 17.972 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 26.561 -36.705 17.151 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 26.093 -35.485 17.916 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 19.326 -21.236 7.513 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 18.992 -22.117 7.685 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 19.548 -20.891 8.377 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 19.406 -28.161 9.964 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 19.590 -28.243 9.029 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 20.255 -28.285 10.388 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 20.225 -34.578 8.996 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 20.670 -35.370 9.298 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 20.691 -33.862 9.427 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 18.529 -31.579 10.065 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 19.021 -31.800 9.275 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 18.891 -30.738 10.346 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 23.952 -22.433 12.867 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 23.527 -21.624 12.584 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 24.857 -22.348 12.565 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 28.263 -21.034 15.826 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 28.448 -21.368 16.704 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 29.110 -20.725 15.504 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 30.608 -19.749 15.070 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 31.285 -20.381 14.830 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 30.930 -19.347 15.878 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 21.354 -19.177 12.914 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 20.634 -18.737 12.463 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 20.988 -19.428 13.763 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 23.821 -19.577 11.944 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 22.956 -19.505 12.348 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 23.766 -19.030 11.160 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 28.532 -19.689 11.120 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 28.075 -19.160 10.466 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 28.695 -19.086 11.845 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 30.859 -20.811 12.065 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 29.955 -20.646 11.799 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 31.288 -19.958 11.999 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 22.910 -21.844 8.480 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 22.691 -22.760 8.649 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 23.734 -21.704 8.946 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 25.447 -21.374 9.328 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 25.660 -22.262 9.041 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 25.512 -21.408 10.283 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 20.020 -21.330 2.996 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 19.335 -21.368 2.328 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 20.023 -20.417 3.284 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 29.294 -28.665 28.528 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 29.256 -29.311 29.233 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 28.971 -29.131 27.757 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 30.111 -20.621 27.042 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 30.731 -21.298 26.769 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 29.903 -20.839 27.950 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 27.683 -26.232 28.934 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 27.987 -26.918 28.340 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 28.405 -26.114 29.552 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 25.755 -29.790 26.512 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 26.371 -30.316 27.021 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 25.169 -30.430 26.108 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 30.158 -25.319 24.152 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 29.862 -25.641 23.301 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 29.834 -24.419 24.194 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 25.358 -27.143 30.896 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 24.618 -26.545 30.999 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 26.072 -26.589 30.580 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 23.766 -25.179 31.683 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 23.760 -24.300 31.305 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 22.912 -25.262 32.108 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 26.815 -37.513 28.061 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 26.698 -38.462 28.007 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 25.960 -37.181 28.334 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 29.082 -28.676 22.561 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 28.370 -28.141 22.210 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 29.773 -28.620 21.901 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 25.500 -24.408 28.077 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 25.405 -24.986 27.320 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 26.229 -24.779 28.573 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 22.300 -28.470 32.975 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 22.370 -27.819 33.673 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 21.409 -28.367 32.640 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 29.085 -22.567 24.633 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 29.559 -22.272 25.411 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 28.522 -21.829 24.400 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 23.619 -22.596 34.510 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 23.627 -22.732 33.562 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 22.703 -22.714 34.762 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 28.557 -19.611 23.048 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 28.482 -19.732 22.102 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 28.590 -18.661 23.167 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 31.659 -20.457 20.051 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 32.034 -21.201 19.580 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 31.663 -20.727 20.969 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 31.328 -20.531 22.800 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 30.393 -20.431 22.979 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 31.608 -21.240 23.378 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 21.465 -25.080 32.843 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 21.682 -25.441 33.703 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 20.610 -25.454 32.633 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 28.747 -36.888 32.213 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 29.167 -37.303 32.966 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 27.814 -37.066 32.330 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 28.409 -34.395 19.498 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 28.155 -34.376 20.421 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 28.152 -35.267 19.197 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 29.708 -31.007 23.663 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 29.299 -30.192 23.371 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 30.428 -31.147 23.048 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 28.810 -30.832 35.151 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 28.247 -31.536 35.471 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 29.636 -30.952 35.618 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 25.291 -33.950 18.599 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 24.860 -34.395 19.329 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 24.573 -33.578 18.087 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 29.976 -29.923 31.148 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 30.300 -30.554 30.505 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 29.536 -30.458 31.809 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 26.754 -33.996 25.932 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 25.843 -33.939 26.221 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 27.259 -34.056 26.743 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 23.909 -31.172 19.982 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 23.367 -31.552 19.291 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 24.743 -30.978 19.553 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 22.044 -26.615 35.081 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 22.777 -26.361 35.642 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 21.264 -26.411 35.596 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 28.074 -31.208 27.819 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 28.638 -31.755 27.272 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 27.926 -31.730 28.608 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 27.244 -26.607 21.918 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 26.500 -27.114 21.595 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 27.110 -26.558 22.864 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 29.370 -25.148 20.943 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 29.075 -24.322 21.325 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 28.667 -25.768 21.139 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 26.394 -29.334 35.215 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 26.098 -29.500 34.320 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 27.325 -29.554 35.205 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 26.171 -26.131 24.668 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 25.930 -25.206 24.710 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 25.431 -26.590 25.064 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 26.686 -21.982 30.983 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 27.049 -21.127 30.750 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 27.218 -22.274 31.724 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 32.433 -24.954 19.758 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 32.786 -25.334 20.562 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 31.484 -25.047 19.844 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 20.662 -22.293 30.995 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 20.879 -23.225 30.964 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 20.909 -22.019 31.879 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 29.746 -34.357 31.450 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 30.444 -34.283 32.100 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 29.365 -35.221 31.605 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 27.730 -32.977 23.382 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 28.542 -32.473 23.428 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 27.485 -33.122 24.296 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 28.266 -31.991 32.567 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 28.385 -31.417 33.324 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 28.921 -32.679 32.682 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 28.614 -35.896 24.320 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 28.267 -35.278 24.965 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 29.272 -35.395 23.839 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 33.166 -22.162 18.577 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 33.449 -22.956 19.030 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 33.906 -21.929 18.016 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 19.780 -26.596 36.302 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 19.924 -27.498 36.016 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 19.007 -26.310 35.814 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 29.473 -25.205 18.170 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 29.205 -25.025 19.071 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 29.267 -26.131 18.039 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 26.341 -30.037 19.003 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 26.161 -30.191 18.075 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 27.292 -29.929 19.047 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 26.893 -29.223 31.911 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 27.644 -29.379 31.338 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 26.554 -28.371 31.635 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 23.377 -31.834 36.090 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 22.610 -32.366 35.880 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 24.056 -32.144 35.491 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 26.117 -37.206 32.103 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 26.019 -36.259 31.997 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 25.374 -37.578 31.627 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 27.381 -32.884 35.666 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 27.145 -33.104 36.568 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 26.598 -33.091 35.157 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 30.097 -33.757 34.742 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 29.149 -33.725 34.874 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 30.409 -34.382 35.396 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 26.339 -37.912 34.774 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 27.051 -38.552 34.760 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 26.238 -37.645 33.860 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 26.692 -36.229 36.828 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 26.561 -36.705 36.007 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 26.093 -35.485 36.772 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 20.998 -23.408 35.464 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 20.177 -23.233 35.004 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 20.746 -23.481 36.385 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 23.952 -22.433 31.723 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 23.527 -21.624 31.440 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 24.857 -22.348 31.421 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 21.354 -19.177 31.770 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 20.634 -18.737 31.319 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 20.988 -19.428 32.619 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 23.821 -19.577 30.800 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 22.956 -19.505 31.204 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 23.766 -19.030 30.016 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 28.532 -19.689 29.976 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 28.075 -19.160 29.322 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 28.695 -19.086 30.701 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 30.859 -20.811 30.921 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 29.955 -20.646 30.655 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 31.288 -19.958 30.855 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 25.447 -21.374 28.184 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 25.660 -22.262 27.897 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 25.512 -21.408 29.139 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 28.956 -35.710 27.329 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 28.281 -36.339 27.584 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 29.520 -36.194 26.726 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 27.006 -35.069 21.854 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 27.184 -35.715 22.537 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 26.952 -34.235 22.321 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 21.662 -29.050 48.977 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 21.704 -29.676 49.701 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 22.365 -28.427 49.159 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 19.906 -28.778 45.031 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 20.120 -29.548 45.558 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 20.644 -28.689 44.428 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 23.979 -33.737 45.390 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 24.022 -32.877 44.972 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 23.521 -34.289 44.757 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 22.789 -34.819 49.464 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 22.570 -34.289 48.698 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 22.121 -34.592 50.112 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 22.383 -32.927 47.417 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 22.996 -32.294 47.790 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 22.895 -33.399 46.760 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 19.887 -25.508 41.321 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 19.615 -25.279 40.432 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 19.932 -24.670 41.781 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 24.500 -29.067 47.885 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 25.065 -28.946 47.122 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 24.819 -28.430 48.524 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 23.123 -28.766 41.841 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 22.831 -27.998 41.350 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 22.449 -29.426 41.678 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 19.216 -26.403 50.656 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 18.715 -26.431 49.841 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 19.222 -27.309 50.966 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 18.967 -23.623 47.540 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 19.913 -23.767 47.521 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 18.854 -22.839 48.077 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 24.084 -36.610 47.695 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 23.223 -36.697 47.287 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 24.062 -35.754 48.122 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 24.175 -31.644 48.790 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 23.533 -31.685 49.499 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 24.212 -30.718 48.552 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 24.172 -31.423 43.702 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 23.279 -31.764 43.643 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 24.623 -31.800 42.946 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 21.925 -31.324 50.657 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 21.887 -30.924 51.525 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 21.434 -32.141 50.747 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 25.291 -33.950 37.455 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 24.860 -34.395 38.185 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 24.573 -33.578 36.943 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 25.235 -32.367 41.271 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 26.167 -32.238 41.449 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 25.020 -31.697 40.622 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 23.909 -31.172 38.838 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 23.367 -31.552 38.147 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 24.743 -30.978 38.409 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 23.076 -35.072 43.093 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 22.759 -35.974 43.058 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 23.857 -35.070 42.541 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 22.369 -27.312 46.543 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 23.114 -27.314 45.942 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 22.447 -28.136 47.025 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 19.377 -28.851 51.858 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 19.600 -29.269 52.690 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 18.775 -29.464 51.436 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 20.499 -28.932 38.535 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 21.115 -28.305 38.914 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 19.637 -28.616 38.806 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 21.011 -34.098 51.416 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 20.118 -33.759 51.349 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 20.912 -34.953 51.834 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 21.914 -27.019 40.027 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 21.228 -26.667 40.594 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 22.437 -26.256 39.781 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 24.271 -34.833 39.864 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 24.188 -33.944 40.210 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 25.161 -35.098 40.095 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 20.846 -31.741 38.040 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 20.801 -30.802 38.219 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 19.958 -31.977 37.770 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 21.654 -36.959 46.713 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 21.425 -36.900 45.786 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 21.211 -37.751 47.020 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 24.121 -26.252 37.290 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 24.185 -27.046 37.821 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 24.774 -26.371 36.601 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 26.341 -30.037 37.859 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 26.161 -30.191 36.931 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 27.292 -29.929 37.903 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 19.807 -24.710 38.343 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 20.721 -24.631 38.616 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 19.814 -25.397 37.676 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 19.406 -28.161 47.676 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 19.590 -28.243 46.741 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 20.255 -28.285 48.100 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 19.004 -32.890 53.817 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 19.923 -33.012 54.053 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 18.554 -33.640 54.206 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 18.806 -36.583 50.176 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 18.141 -36.829 50.819 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 18.363 -35.961 49.599 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 25.862 -37.149 43.820 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 26.736 -36.761 43.790 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 25.726 -37.364 44.743 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 20.020 -21.330 40.708 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 19.335 -21.368 40.040 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 20.023 -20.417 40.996 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 21.980 -35.362 38.253 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 22.471 -35.992 37.725 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 22.603 -35.066 38.916 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 27.006 -35.069 40.710 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 27.184 -35.715 41.393 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 26.952 -34.235 41.177 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 21.838 -20.410 37.733 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 21.570 -20.123 38.606 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 22.609 -20.956 37.885 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 21.662 -10.194 -7.591 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 21.704 -10.820 -6.867 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 22.365 -9.571 -7.409 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 22.300 -9.614 -4.737 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 22.370 -8.963 -4.039 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 21.409 -9.511 -5.072 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 23.619 -3.740 -3.202 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 23.627 -3.876 -4.150 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 22.703 -3.858 -2.950 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 19.216 -7.547 -5.912 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 18.715 -7.575 -6.727 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 19.222 -8.453 -5.602 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 18.967 -4.767 -9.028 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 19.913 -4.911 -9.047 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 18.854 -3.983 -8.491 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 21.465 -6.224 -4.869 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 21.682 -6.585 -4.009 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 20.610 -6.598 -5.079 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 22.044 -7.759 -2.631 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 22.777 -7.505 -2.070 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 21.264 -7.555 -2.116 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 19.377 -9.995 -4.710 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 19.600 -10.413 -3.878 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 18.775 -10.608 -5.132 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 20.662 -3.437 -6.717 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 20.879 -4.369 -6.748 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 20.909 -3.163 -5.833 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 19.873 -1.550 -2.364 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 20.413 -1.767 -1.605 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 19.392 -2.356 -2.554 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 20.612 -10.540 -1.990 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 21.020 -11.397 -2.111 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 20.352 -10.525 -1.069 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 19.406 -9.305 -8.892 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 19.590 -9.387 -9.827 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 20.255 -9.429 -8.468 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 19.004 -14.034 -2.751 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 19.923 -14.156 -2.515 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 18.554 -14.784 -2.362 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 20.998 -4.552 -2.248 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 20.177 -4.377 -2.708 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 20.746 -4.625 -1.327 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 21.354 -0.321 -5.942 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 20.634 0.119 -6.393 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 20.988 -0.572 -5.093 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 19.196 -12.084 5.193 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 18.748 -11.238 5.175 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 18.635 -12.664 4.678 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 19.906 -9.922 7.319 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 20.120 -10.692 7.846 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 20.644 -9.833 6.716 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 20.599 -12.484 8.440 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 21.253 -13.034 8.872 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 20.623 -12.758 7.524 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 22.789 -15.963 11.752 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 22.570 -15.433 10.986 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 22.121 -15.736 12.400 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 22.383 -14.071 9.705 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 22.996 -13.438 10.078 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 22.895 -14.543 9.048 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 19.887 -6.652 3.609 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 19.615 -6.423 2.720 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 19.932 -5.814 4.069 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 26.815 -18.657 9.205 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 26.698 -19.606 9.151 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 25.960 -18.325 9.478 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 22.300 -9.614 14.119 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 22.370 -8.963 14.817 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 21.409 -9.511 13.784 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 19.216 -7.547 12.944 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 18.715 -7.575 12.129 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 19.222 -8.453 13.254 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 24.084 -17.754 9.983 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 23.223 -17.841 9.575 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 24.062 -16.898 10.410 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 28.747 -18.032 13.357 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 29.167 -18.447 14.110 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 27.814 -18.210 13.474 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 24.175 -12.788 11.078 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 23.533 -12.829 11.787 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 24.212 -11.862 10.840 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 28.810 -11.976 16.295 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 28.247 -12.680 16.615 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 29.636 -12.096 16.762 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 21.925 -12.468 12.945 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 21.887 -12.068 13.813 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 21.434 -13.285 13.035 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 19.808 -14.606 2.219 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 20.282 -14.015 1.634 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 19.090 -14.075 2.566 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 21.582 -13.511 5.903 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 20.693 -13.411 5.563 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 21.878 -14.353 5.557 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 22.044 -7.759 16.225 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 22.777 -7.505 16.786 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 21.264 -7.555 16.740 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 23.076 -16.216 5.381 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 22.759 -17.118 5.346 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 23.857 -16.214 4.829 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 26.700 -13.964 11.377 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 25.865 -13.510 11.487 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 27.224 -13.688 12.129 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 19.377 -9.995 14.146 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 19.600 -10.413 14.978 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 18.775 -10.608 13.724 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 26.394 -10.478 16.359 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 26.098 -10.644 15.464 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 27.325 -10.698 16.349 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 20.499 -10.076 0.823 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 21.115 -9.449 1.202 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 19.637 -9.760 1.094 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 21.011 -15.242 13.704 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 20.118 -14.903 13.637 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 20.912 -16.097 14.122 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 21.914 -8.163 2.315 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 21.228 -7.811 2.882 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 22.437 -7.400 2.069 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 29.746 -15.501 12.594 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 30.444 -15.427 13.244 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 29.365 -16.365 12.749 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 28.266 -13.135 13.711 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 28.385 -12.561 14.468 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 28.921 -13.823 13.826 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 22.530 -5.549 1.212 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 23.122 -4.850 1.488 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 22.989 -5.982 0.493 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 20.846 -12.885 0.328 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 20.801 -11.946 0.507 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 19.958 -13.121 0.058 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 21.654 -18.103 9.001 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 21.425 -18.044 8.074 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 21.211 -18.895 9.308 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 19.780 -7.740 17.446 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 19.924 -8.642 17.160 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 19.007 -7.454 16.958 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 24.121 -7.396 -0.422 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 24.185 -8.190 0.109 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 24.774 -7.515 -1.111 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 26.435 -7.770 16.879 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 26.107 -7.499 16.021 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 26.587 -8.711 16.791 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 24.559 -11.531 14.240 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 23.941 -10.856 14.521 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 24.903 -11.210 13.407 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 27.381 -14.028 16.810 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 27.145 -14.248 17.712 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 26.598 -14.235 16.301 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 30.097 -14.901 15.886 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 29.149 -14.869 16.018 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 30.409 -15.526 16.540 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 31.731 -16.267 17.891 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 31.634 -17.219 17.885 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 31.409 -15.998 18.752 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 19.807 -5.854 0.631 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 20.721 -5.775 0.904 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 19.814 -6.541 -0.036 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 19.406 -9.305 9.964 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 19.590 -9.387 9.029 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 20.255 -9.429 10.388 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 19.004 -14.034 16.105 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 19.923 -14.156 16.341 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 18.554 -14.784 16.494 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 20.225 -15.722 8.996 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 20.670 -16.514 9.298 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 20.691 -15.006 9.427 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 18.529 -12.723 10.065 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 19.021 -12.944 9.275 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 18.891 -11.882 10.346 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 21.282 -18.220 6.295 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 20.505 -18.454 5.787 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 21.813 -19.017 6.303 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 20.119 -18.422 2.098 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 20.558 -17.811 1.507 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 19.485 -17.884 2.572 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 20.020 -2.474 2.996 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 19.335 -2.512 2.328 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 20.023 -1.561 3.284 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 21.980 -16.506 0.541 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 22.471 -17.136 0.013 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 22.603 -16.210 1.204 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 21.838 -1.554 0.021 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 21.570 -1.267 0.894 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 22.609 -2.100 0.173 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 31.635 -19.023 17.530 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 31.711 -19.449 18.384 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 32.528 -19.009 17.188 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 30.361 -9.064 25.109 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 30.450 -8.120 24.977 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 29.722 -9.339 24.451 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 29.294 -9.809 28.528 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 29.256 -10.455 29.233 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 28.971 -10.275 27.757 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 22.586 -5.744 28.656 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 22.216 -6.546 28.287 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 23.527 -5.913 28.703 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 27.683 -7.376 28.934 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 27.987 -8.062 28.340 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 28.405 -7.258 29.552 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 30.824 -12.982 29.262 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 30.967 -13.929 29.282 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 30.718 -12.775 28.333 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 31.701 -14.750 24.935 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 32.347 -15.079 25.560 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 32.211 -14.232 24.312 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 25.358 -8.287 30.896 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 24.618 -7.689 30.999 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 26.072 -7.733 30.580 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 33.465 -15.459 26.916 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 33.250 -16.225 27.448 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 34.121 -14.987 27.429 0.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 23.766 -6.323 31.683 0.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 23.760 -5.444 31.305 0.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 22.912 -6.406 32.108 0.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 19.887 -6.652 22.465 0.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 19.615 -6.423 21.576 0.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 19.932 -5.814 22.925 0.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 33.812 -16.744 30.595 0.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 33.076 -16.133 30.557 0.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 34.496 -16.329 30.069 0.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 29.082 -9.820 22.561 0.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 28.370 -9.285 22.210 0.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 29.773 -9.764 21.901 0.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 29.136 -11.362 19.600 0.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 29.837 -11.340 20.251 0.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 29.438 -11.990 18.944 0.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 25.500 -5.552 28.077 0.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 25.405 -6.130 27.320 0.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 26.229 -5.923 28.573 0.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 25.380 -5.812 33.746 0.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 25.068 -5.030 34.202 0.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 24.730 -5.965 33.060 0.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 31.359 -10.448 21.198 0.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 31.938 -10.298 21.945 0.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 31.773 -9.977 20.475 0.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 19.216 -7.547 31.800 0.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 18.715 -7.575 30.985 0.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 19.222 -8.453 32.110 0.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 18.967 -4.767 28.684 0.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 19.913 -4.911 28.665 0.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 18.854 -3.983 29.221 0.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 21.465 -6.224 32.843 0.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 21.682 -6.585 33.703 0.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 20.610 -6.598 32.633 0.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 28.747 -18.032 32.213 0.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 29.167 -18.447 32.966 0.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 27.814 -18.210 32.330 0.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 32.073 -14.276 33.067 0.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 31.559 -14.402 33.864 0.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 31.918 -13.364 32.822 0.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 28.409 -15.539 19.498 0.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 28.155 -15.520 20.421 0.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 28.152 -16.411 19.197 0.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 29.708 -12.151 23.663 0.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 29.299 -11.336 23.371 0.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 30.428 -12.291 23.048 0.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 28.810 -11.976 35.151 0.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 28.247 -12.680 35.471 0.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 29.636 -12.096 35.618 0.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 30.712 -12.705 26.477 0.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 30.517 -12.100 25.762 0.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 30.894 -13.539 26.042 0.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 29.976 -11.067 31.148 0.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 30.300 -11.698 30.505 0.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 29.536 -11.602 31.809 0.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 31.159 -15.905 29.196 0.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 30.482 -15.774 29.860 0.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 30.673 -16.060 28.386 0.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 22.044 -7.759 35.081 0.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 22.777 -7.505 35.642 0.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 21.264 -7.555 35.596 0.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 27.244 -7.751 21.918 0.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 26.500 -8.258 21.595 0.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 27.110 -7.702 22.864 0.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 31.142 -14.937 20.117 0.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 30.204 -14.825 19.966 0.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 31.439 -14.080 20.423 0.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 31.860 -13.070 21.778 0.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 32.752 -13.207 22.097 0.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 31.917 -12.279 21.241 0.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 26.394 -10.478 35.215 0.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 26.098 -10.644 34.320 0.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 27.325 -10.698 35.205 0.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 24.744 -4.938 25.092 0.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 25.271 -4.165 24.891 0.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 23.864 -4.713 24.790 0.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 26.171 -7.275 24.668 0.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 25.930 -6.350 24.710 0.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 25.431 -7.734 25.064 0.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 25.461 -5.416 20.661 0.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 25.608 -5.936 21.451 0.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 25.458 -4.509 20.967 0.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 29.746 -15.501 31.450 0.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 30.444 -15.427 32.100 0.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 29.365 -16.365 31.605 0.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 30.530 -15.849 22.547 0.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 30.750 -15.377 21.744 0.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 31.088 -15.454 23.218 0.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 28.266 -13.135 32.567 0.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 28.385 -12.561 33.324 0.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 28.921 -13.823 32.682 0.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 33.072 -11.477 27.498 0.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 32.275 -11.892 27.169 0.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 33.517 -12.168 27.989 0.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 22.530 -5.549 20.068 0.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 23.122 -4.850 20.344 0.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 22.989 -5.982 19.349 0.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 19.780 -7.740 36.302 0.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 19.924 -8.642 36.016 0.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 19.007 -7.454 35.814 0.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 24.121 -7.396 18.434 0.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 24.185 -8.190 18.965 0.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 24.774 -7.515 17.745 0.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1237 26.435 -7.770 35.735 0.00 0.00 WAT1 ATOM 5690 H1 TIP3 1237 26.107 -7.499 34.877 0.00 0.00 WAT1 ATOM 5691 H2 TIP3 1237 26.587 -8.711 35.647 0.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1238 26.341 -11.181 19.003 0.00 0.00 WAT1 ATOM 5693 H1 TIP3 1238 26.161 -11.335 18.075 0.00 0.00 WAT1 ATOM 5694 H2 TIP3 1238 27.292 -11.073 19.047 0.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1239 24.899 -14.176 34.179 0.00 0.00 WAT1 ATOM 5696 H1 TIP3 1239 25.049 -14.905 33.576 0.00 0.00 WAT1 ATOM 5697 H2 TIP3 1239 24.901 -13.399 33.620 0.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1240 25.311 -15.806 31.671 0.00 0.00 WAT1 ATOM 5699 H1 TIP3 1240 25.847 -15.355 31.019 0.00 0.00 WAT1 ATOM 5700 H2 TIP3 1240 24.459 -15.914 31.249 0.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1241 26.893 -10.367 31.911 0.00 0.00 WAT1 ATOM 5702 H1 TIP3 1241 27.644 -10.523 31.338 0.00 0.00 WAT1 ATOM 5703 H2 TIP3 1241 26.554 -9.515 31.635 0.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1242 23.377 -12.978 36.090 0.00 0.00 WAT1 ATOM 5705 H1 TIP3 1242 22.610 -13.510 35.880 0.00 0.00 WAT1 ATOM 5706 H2 TIP3 1242 24.056 -13.288 35.491 0.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1243 26.117 -18.350 32.103 0.00 0.00 WAT1 ATOM 5708 H1 TIP3 1243 26.019 -17.403 31.997 0.00 0.00 WAT1 ATOM 5709 H2 TIP3 1243 25.374 -18.722 31.627 0.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1244 27.381 -14.028 35.666 0.00 0.00 WAT1 ATOM 5711 H1 TIP3 1244 27.145 -14.248 36.568 0.00 0.00 WAT1 ATOM 5712 H2 TIP3 1244 26.598 -14.235 35.157 0.00 0.00 WAT1 ATOM 5713 OH2 TIP3 1245 30.097 -14.901 34.742 0.00 0.00 WAT1 ATOM 5714 H1 TIP3 1245 29.149 -14.869 34.874 0.00 0.00 WAT1 ATOM 5715 H2 TIP3 1245 30.409 -15.526 35.396 0.00 0.00 WAT1 ATOM 5716 OH2 TIP3 1246 26.339 -19.056 34.774 0.00 0.00 WAT1 ATOM 5717 H1 TIP3 1246 27.051 -19.696 34.760 0.00 0.00 WAT1 ATOM 5718 H2 TIP3 1246 26.238 -18.789 33.860 0.00 0.00 WAT1 ATOM 5719 OH2 TIP3 1247 19.807 -5.854 19.487 0.00 0.00 WAT1 ATOM 5720 H1 TIP3 1247 20.721 -5.775 19.760 0.00 0.00 WAT1 ATOM 5721 H2 TIP3 1247 19.814 -6.541 18.820 0.00 0.00 WAT1 ATOM 5722 OH2 TIP3 1248 31.419 -18.263 26.613 0.00 0.00 WAT1 ATOM 5723 H1 TIP3 1248 31.495 -18.168 25.664 0.00 0.00 WAT1 ATOM 5724 H2 TIP3 1248 31.143 -19.171 26.742 0.00 0.00 WAT1 ATOM 5725 OH2 TIP3 1249 32.772 -18.237 22.306 0.00 0.00 WAT1 ATOM 5726 H1 TIP3 1249 32.069 -17.623 22.096 0.00 0.00 WAT1 ATOM 5727 H2 TIP3 1249 32.327 -19.075 22.437 0.00 0.00 WAT1 ATOM 5728 OH2 TIP3 1250 21.240 -17.706 34.668 0.00 0.00 WAT1 ATOM 5729 H1 TIP3 1250 20.874 -18.471 35.111 0.00 0.00 WAT1 ATOM 5730 H2 TIP3 1250 22.153 -17.677 34.955 0.00 0.00 WAT1 ATOM 5731 OH2 TIP3 1251 23.213 -18.355 36.204 0.00 0.00 WAT1 ATOM 5732 H1 TIP3 1251 24.112 -18.629 36.019 0.00 0.00 WAT1 ATOM 5733 H2 TIP3 1251 22.827 -19.098 36.668 0.00 0.00 WAT1 ATOM 5734 OH2 TIP3 1252 25.291 -15.094 37.455 0.00 0.00 WAT1 ATOM 5735 H1 TIP3 1252 24.860 -15.539 38.185 0.00 0.00 WAT1 ATOM 5736 H2 TIP3 1252 24.573 -14.722 36.943 0.00 0.00 WAT1 ATOM 5737 OH2 TIP3 1253 19.808 -14.606 39.931 0.00 0.00 WAT1 ATOM 5738 H1 TIP3 1253 20.282 -14.015 39.346 0.00 0.00 WAT1 ATOM 5739 H2 TIP3 1253 19.090 -14.075 40.278 0.00 0.00 WAT1 ATOM 5740 OH2 TIP3 1254 23.909 -12.316 38.838 0.00 0.00 WAT1 ATOM 5741 H1 TIP3 1254 23.367 -12.696 38.147 0.00 0.00 WAT1 ATOM 5742 H2 TIP3 1254 24.743 -12.122 38.409 0.00 0.00 WAT1 ATOM 5743 OH2 TIP3 1255 20.499 -10.076 38.535 0.00 0.00 WAT1 ATOM 5744 H1 TIP3 1255 21.115 -9.449 38.914 0.00 0.00 WAT1 ATOM 5745 H2 TIP3 1255 19.637 -9.760 38.806 0.00 0.00 WAT1 ATOM 5746 OH2 TIP3 1256 20.846 -12.885 38.040 0.00 0.00 WAT1 ATOM 5747 H1 TIP3 1256 20.801 -11.946 38.219 0.00 0.00 WAT1 ATOM 5748 H2 TIP3 1256 19.958 -13.121 37.770 0.00 0.00 WAT1 ATOM 5749 OH2 TIP3 1257 24.121 -7.396 37.290 0.00 0.00 WAT1 ATOM 5750 H1 TIP3 1257 24.185 -8.190 37.821 0.00 0.00 WAT1 ATOM 5751 H2 TIP3 1257 24.774 -7.515 36.601 0.00 0.00 WAT1 ATOM 5752 OH2 TIP3 1258 26.341 -11.181 37.859 0.00 0.00 WAT1 ATOM 5753 H1 TIP3 1258 26.161 -11.335 36.931 0.00 0.00 WAT1 ATOM 5754 H2 TIP3 1258 27.292 -11.073 37.903 0.00 0.00 WAT1 ATOM 5755 OH2 TIP3 1259 20.119 -18.422 39.810 0.00 0.00 WAT1 ATOM 5756 H1 TIP3 1259 20.558 -17.811 39.219 0.00 0.00 WAT1 ATOM 5757 H2 TIP3 1259 19.485 -17.884 40.284 0.00 0.00 WAT1 ATOM 5758 OH2 TIP3 1260 21.980 -16.506 38.253 0.00 0.00 WAT1 ATOM 5759 H1 TIP3 1260 22.471 -17.136 37.725 0.00 0.00 WAT1 ATOM 5760 H2 TIP3 1260 22.603 -16.210 38.916 0.00 0.00 WAT1 ATOM 5761 OH2 TIP3 1261 18.533 3.504 -12.061 0.00 0.00 WAT1 ATOM 5762 H1 TIP3 1261 19.164 3.475 -11.341 0.00 0.00 WAT1 ATOM 5763 H2 TIP3 1261 18.983 3.079 -12.791 0.00 0.00 WAT1 ATOM 5764 OH2 TIP3 1262 21.011 3.614 -5.152 0.00 0.00 WAT1 ATOM 5765 H1 TIP3 1262 20.118 3.953 -5.219 0.00 0.00 WAT1 ATOM 5766 H2 TIP3 1262 20.912 2.759 -4.734 0.00 0.00 WAT1 ATOM 5767 OH2 TIP3 1263 21.558 3.799 -1.917 0.00 0.00 WAT1 ATOM 5768 H1 TIP3 1263 21.769 3.092 -2.528 0.00 0.00 WAT1 ATOM 5769 H2 TIP3 1263 21.446 3.361 -1.073 0.00 0.00 WAT1 ATOM 5770 OH2 TIP3 1264 19.004 4.822 -2.751 0.00 0.00 WAT1 ATOM 5771 H1 TIP3 1264 19.923 4.700 -2.515 0.00 0.00 WAT1 ATOM 5772 H2 TIP3 1264 18.554 4.072 -2.362 0.00 0.00 WAT1 ATOM 5773 OH2 TIP3 1265 18.529 6.133 -8.791 0.00 0.00 WAT1 ATOM 5774 H1 TIP3 1265 19.021 5.912 -9.581 0.00 0.00 WAT1 ATOM 5775 H2 TIP3 1265 18.891 6.974 -8.510 0.00 0.00 WAT1 ATOM 5776 OH2 TIP3 1266 18.806 1.129 -6.392 0.00 0.00 WAT1 ATOM 5777 H1 TIP3 1266 18.141 0.883 -5.749 0.00 0.00 WAT1 ATOM 5778 H2 TIP3 1266 18.363 1.751 -6.969 0.00 0.00 WAT1 ATOM 5779 OH2 TIP3 1267 21.240 1.150 -3.044 0.00 0.00 WAT1 ATOM 5780 H1 TIP3 1267 20.874 0.385 -2.601 0.00 0.00 WAT1 ATOM 5781 H2 TIP3 1267 22.153 1.179 -2.757 0.00 0.00 WAT1 ATOM 5782 OH2 TIP3 1268 19.808 4.250 2.219 0.00 0.00 WAT1 ATOM 5783 H1 TIP3 1268 20.282 4.841 1.634 0.00 0.00 WAT1 ATOM 5784 H2 TIP3 1268 19.090 4.781 2.566 0.00 0.00 WAT1 ATOM 5785 OH2 TIP3 1269 18.842 2.391 4.120 0.00 0.00 WAT1 ATOM 5786 H1 TIP3 1269 17.917 2.600 3.990 0.00 0.00 WAT1 ATOM 5787 H2 TIP3 1269 19.296 2.875 3.430 0.00 0.00 WAT1 ATOM 5788 OH2 TIP3 1270 20.119 0.434 2.098 0.00 0.00 WAT1 ATOM 5789 H1 TIP3 1270 20.558 1.045 1.507 0.00 0.00 WAT1 ATOM 5790 H2 TIP3 1270 19.485 0.972 2.572 0.00 0.00 WAT1 ATOM 5791 OH2 TIP3 1271 21.980 2.350 0.541 0.00 0.00 WAT1 ATOM 5792 H1 TIP3 1271 22.471 1.720 0.013 0.00 0.00 WAT1 ATOM 5793 H2 TIP3 1271 22.603 2.646 1.204 0.00 0.00 WAT1 END